SCHEMBL15501200

SCHEMBL15501200

OCCOCCSc1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.67
CYP2D6 P10635 3/20 0.67
CYP2C19 P33261 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 1/20 0.60
STAT6 P42226 1/20 0.60
ALDH1A1 P00352 7/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPK1 P28482 2/20 0.58
POLB P06746 2/20 0.58
TSHR P16473 1/20 0.58
HIF1A Q16665 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.56
APEX1 P27695 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL25123680 0.99 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL745752 0.85 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL29395006 0.85 CYP1A2 (0.80) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL28621136 0.82 CYP1A2 (0.75) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
Di(Hydroxyethyl)Ether SCHEMBL9867190 0.82 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL30519197 0.82 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL25340773 0.82 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL5837665 0.81 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL14540704 0.81 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL9439911 0.80 ALOX5 (0.56) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023047855-A1 COMPOSITION AND PHOTOSENSITIVE COMPOSITION 東京応化工業株式会社 2023-03-30 WO disclosed
EP-2163949-B1 Developer for lithographic printing plate precursor and process for producing lithographic printing plate FUJIFILM CORP (JP) 2014-03-12 EP disclosed