SCHEMBL27768252

SCHEMBL27768252

COc1ccccc1CNF

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.59
CHRM2 P08172 12/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
BCHE P06276 4/20 0.58
ACHE P22303 4/20 0.58
CHRM4 P08173 4/20 0.58
CHRM5 P08912 4/20 0.58
CHRM1 P11229 4/20 0.58
CHRM3 P20309 4/20 0.58
KDM4E B2RXH2 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
THPO P40225 1/20 0.58
RECQL P46063 1/20 0.58

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
SCHEMBL5695121 0.83 ALDH1A1 (0.79) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL418619 0.81 ALDH1A1 (0.66) ALDH1A1GAAMAPTL3MBTL1CHRM2
SCHEMBL22838152 0.81 ALDH1A1 (0.66) ALDH1A1GAAMAPTL3MBTL1CHRM2
SCHEMBL4918396 0.79 CHRM2 (0.79) ALDH1A1MAPTCHRM2GRIN1GRIN2A
SCHEMBL19091168 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTL3MBTL1CHRM2
Hydrochloric Acid SCHEMBL7876474 0.79 MAPT (0.69) ALDH1A1GAAMAPTCHRM2GRIN1
SCHEMBL7955868 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTL3MBTL1CHRM2
SCHEMBL4573475 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTL3MBTL1CHRM2
SCHEMBL27582570 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTL3MBTL1CHRM2
SCHEMBL27963840 0.79 ALDH1A1 (0.63) ALDH1A1GAAMAPTL3MBTL1CHRM2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105209429-B SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-05-29 CN claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN claimed
CN-105209429-A Ship1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-12-30 CN claimed
CN-108349904-A PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF 米托布里奇公司 2018-07-31 CN disclosed
CN-105209429-B SHIP1 conditioning agents and relative method 阿奎诺克斯药物(加拿大)公司 2018-05-29 CN disclosed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN disclosed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN disclosed
CN-105209429-A Ship1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC 2015-12-30 CN disclosed
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 CN disclosed
CN-102227409-B Pyridine-3-carboxyamide derivative KOWA CO 2014-03-26 CN disclosed
CN-101466662-B Method for producing fluoroamine MITSUBISHI GAS CHEMICAL CO 2012-06-06 CN disclosed
CN-101466662-A Method for producing fluoroamine MITSUBISHI GAS CHEMICAL CO (JP) 2009-06-24 CN disclosed