SCHEMBL18459063

SCHEMBL18459063

N#Cc1c(-c2ccc(Cl)cc2)csc1Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 3/20 0.44
MAP2K1 Q02750 2/20 0.44
USP2 O75604 1/20 0.44
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ADORA2A P29274 4/20 0.42
ADORA1 P30542 3/20 0.42
MET P08581 1/20 0.41
KDR P35968 1/20 0.41
SQOR Q9Y6N5 1/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL18458828 0.90 MAPT (0.48) ALOX5PTGS2MAPTMAP2K1HTT
SCHEMBL18459062 0.82 MAPT (0.43) MAPTMAP2K1USP2HTTRECQL
SCHEMBL18458656 0.76 ADORA1 (0.49) MAPTMAP2K1HTTRECQLADORA2A
SCHEMBL18458659 0.72 ALDH1A1 (0.41) ALOX5PTGS2HTTRECQLALDH1A1
SCHEMBL4259769 0.71 PRKCZ (0.56) ALOX5PTGS2MAPTUSP2FNTA
SCHEMBL10654581 0.71 KDM4E (0.51) ALOX5PTGS2MAPTFNTAFNTB
SCHEMBL10655134 0.68 KDM4E (0.43) ALOX5PTGS2MAPTFNTAFNTB
SCHEMBL18458834 0.68 TDP1 (0.47) MAPTFNTAFNTBALDH1A1GAA
SCHEMBL18458832 0.68 SQOR (0.39) ALOX5PTGS2MAPTFNTAFNTB
SCHEMBL10654927 0.67 KDM4E (0.40) ALOX5PTGS2MAPTFNTAFNTB

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
WO-2017018617-A1 NOVEL COMPOUND, PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME, AND COLOR FILTER 삼성에스디아이 주식회사 2017-02-02 WO disclosed