SCHEMBL15501210

SCHEMBL15501210

CNCCSc1nc2ccccc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.78
CYP2D6 P10635 3/20 0.78
CYP2C19 P33261 3/20 0.69
IDO1 P14902 1/20 0.69
MAPK1 P28482 3/20 0.68
CYP3A4 P08684 2/20 0.68
HIF1A Q16665 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP2C9 P11712 1/20 0.65
STAT6 P42226 1/20 0.65
ALOX5 P09917 5/20 0.64
HTR1A P08908 1/20 0.64
HTR2A P28223 1/20 0.64
HTR7 P34969 1/20 0.64
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HSD17B10 Q99714 3/20 0.59
GFER P55789 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 2/20 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
SCHEMBL5837665 0.88 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL266476 0.82 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL10404212 0.81 ALOX5 (0.76) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL10404210 0.81 ALOX5 (0.76) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL6141647 0.80 CYP1A2 (0.83) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL30422981 0.79 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL422527 0.79 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL6063511 0.79 CYP1A2 (0.73) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL8414134 0.79 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19IDO1MAPK1
SCHEMBL745752 0.79 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19IDO1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163949-B1 Developer for lithographic printing plate precursor and process for producing lithographic printing plate FUJIFILM CORP (JP) 2014-03-12 EP disclosed