SCHEMBL65321

SCHEMBL65321

Nc1ccccc1C=Cc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
ALOX15 P16050 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NFE2L2 Q16236 3/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 5/20 0.41
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL38340 1.00 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3765477 1.00 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11287552 0.97 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL4620959 0.97 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL15285378 0.97 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3868847 0.97 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11301695 0.89 CYP19A1 (0.52) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11033480 0.88 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11033484 0.88 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3885086 0.87 MAOB (0.56) NFE2L2ALDH1A1MEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108383777-A The synthetic method of difluoromethyl pyridine derivate 河南师范大学 2018-08-10 CN claimed
CN-108164391-A A kind of biphenyl compound and its application in 1,3- dibromo pyrenes are prepared 李现伟 2018-06-15 CN claimed
CN-105647446-B Alone trademark adhesive of express delivery and preparation method thereof 如皋市嘉好热熔胶有限公司 2017-09-15 CN claimed
CN-104878130-B A kind of complex function amino resin tanning agent and preparation method thereof 兄弟科技股份有限公司 2017-03-29 CN claimed
CN-105647446-A Label glue for express waybill and preparation method thereof 上海嘉好胶粘制品有限公司 2016-06-08 CN claimed
CN-105400114-A Modified TPE insulating material for high-flame-retardance and high-wear-resistance automobile wire harnesses and preparation method of modified TPE insulating material ANHUI XIONGYA PLASTIC TECH CO LTD 2016-03-16 CN claimed
CN-105383347-A High-performance TPE (Thermal Plastic Elastomer) vehicle foot pad and preparation method thereof ANHUI XIONGYA PLASTIC TECH CO LTD 2016-03-09 CN claimed
CN-105199292-A High-performance TPE (thermal plastic elastomers) rail transit gasket and preparation method thereof ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2015-12-30 CN claimed
CN-105153619-A TPE (Thermoplastic Elastomer) castor powder with high wear resistance and high antibacterial property and preparation method of TPE castor powder ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2015-12-16 CN claimed
CN-105111979-A Environment-friendly antimicrobial flame-retardant TPE (thermoplastic elastomer) carpet gum powder and preparation method thereof ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2015-12-02 CN claimed
CN-105001581-A TPE composition and high-performance sealing material obtained from same ANHUI XIONGYA PLASTIC TECHNOLOGY CO LTD 2015-10-28 CN claimed
CN-103421034-B The preparation method of Chiral aluminum compound and preparation method thereof and poly(lactic acid) CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-10-21 CN claimed
CN-103467503-B With the Chiral aluminum compound and preparation method thereof of dinaphthalene derivatives and the preparation method of poly(lactic acid) CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-10-21 CN claimed
CN-103254220-B The preparation method of Chiral zinc compound, its preparation method and poly(lactic acid) CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-10-07 CN claimed
CN-104878130-A Complex-function amino resin tanning agent and preparation method thereof BROTHER ENTPR HOLDING CO LTD 2015-09-02 CN claimed
CN-104861641-A Modified anionic waterborne polyurethane and preparation method thereof BROTHER TECHNOLOGY CO LTD 2015-08-26 CN claimed
CN-104830263-A Solvent-free polyurethane adhesive for flexible package SHANGHAI YUMI INDUSTRY CO LTD 2015-08-12 CN claimed
CN-103724630-A Synthesis method for block-type sulfonated polyimides-polybenzimidazole proton exchange membrane material UNIV TONGJI 2014-04-16 CN claimed
EP-0330456-B1 Preparation of silicon-containing polyimide precursor and cured polyimides obtained therefrom CHISSO CORP (JP) 1994-09-07 EP claimed
US-4013639-A PREPARATION OF ASYMMETRIC IMINODIBENZYL COMPOUNDS Kitamura, Eiichi (JA) 1977-03-22 US claimed