SCHEMBL22462330

SCHEMBL22462330

CCc1ccccc1N=C=N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
SIGMAR1 Q99720 3/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MGLL Q99685 1/20 0.34
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31

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
Methacrylic Acid SCHEMBL26103969 0.85 ALDH1A1 (0.38) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL2766194 0.84 CYP3A4 (0.39) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL722841 0.83 GABRA1 (0.47) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL28208432 0.82 GABRA1 (0.44) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL27553054 0.81 CYP3A4 (0.51) GABRA1GABRB2CYP3A4CYP2D6CYP2C9
SCHEMBL29795971 0.81 GABRA1 (0.61) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
SCHEMBL93290 0.81 GABRA1 (0.61) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B
Ethane SCHEMBL27532033 0.80 PNMT (0.38)
SCHEMBL27753429 0.79 PNMT (0.40) NOS3NOS1NOS2
SCHEMBL945820 0.79 GABRA1 (0.62) GABRA1GABRB2SIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713988-B1 METHOD FOR PURIFYING AN ALIPHATIC POLYESTER BASF SE (DE) 2021-09-08 EP disclosed
CN-108713044-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-08-17 CN disclosed
CN-108431131-B Polycarbonate resin composition and molded article thereof 出光兴产株式会社 2021-06-01 CN disclosed
EP-3713988-A1 METHOD FOR PURIFYING AN ALIPHATIC POLYESTER BASF SE (DE) 2020-09-30 EP disclosed
CN-107473991-A By the synthetic method of the isourea of catalysis of rare-earth compound 苏州大学 2017-12-15 CN disclosed
CN-107179660-A Electrostatic image development toner, electrostatic charge image developer, toner cartridge, image forming apparatus and image forming method 富士施乐株式会社 2017-09-19 CN disclosed
CN-106459559-A Epoxy compositions FRX聚合物股份有限公司 2017-02-22 CN disclosed
CN-103098230-B Solar module backside protective sheet and use its solar module TORAY ADVANCED FILM Co.,Ltd. (JP) 2016-03-16 CN disclosed
CN-104854162-A Process for producing a high-molecular-weight polyester or copolyester, and also polymer blends containing such UHDE INVENTA FISCHER GMBH 2015-08-19 CN disclosed
CN-104395400-A Polylactic acid resin composition and molded body which is obtained using same UNITIKA LTD 2015-03-04 CN disclosed
CN-101759969-A Polylactic acid composition and molding product thereof TORAY FIBER RES INST CN CO LTD 2010-06-30 CN disclosed
CN-101583667-A Resin composition and molded article produced therefrom UNITIKA LTD (JP) 2009-11-18 CN disclosed
CN-101415774-A Polylactic acid resin composition and molded article NIPPON ELECTRIC CO (JP) 2009-04-22 CN disclosed
CN-101384662-A Polylactic acid resin composition and molded article NIPPON ELECTRIC CO (JP) 2009-03-11 CN disclosed
CN-101313091-A Crimped yarn, method for manufacture thereof, and fiber structure TORAY INDUSTRIES (JP) 2008-11-26 CN disclosed
CN-101218298-A Resin composition and shaped article composed of the same TORAY INDUSTRIES (JP) 2008-07-09 CN disclosed
CN-100396720-C Aliphatic polyester resin composition, method for production thereof, molded article and foamed article comprising the resin composition UNITIKA LTD (JP) 2008-06-25 CN disclosed
CN-101163743-A Biodegradable resin composition, and molded body and production method thereof UNITIKA LTD (JP) 2008-04-16 CN disclosed
CN-101023133-A Resin composition and molding comprising the same TORAY INDUSTRIES (JP) 2007-08-22 CN disclosed
CN-1805999-A Aliphatic polyester resin composition, method for production thereof, molded article and foamed article comprising the resin composition UNITIKA LTD (JP) 2006-07-19 CN disclosed