SCHEMBL6928575

SCHEMBL6928575

CCCCCCc1ccsc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
LTB4R Q15722 4/20 0.40
LIPG Q9Y5X9 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL30412970 0.98 GPR35 (0.45) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL15286612 0.98 GPR35 (0.43) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL4045273 0.93 PKM (0.41) GPR35CYSLTR2CYSLTR1LTB4RPKM
SCHEMBL3077087 0.86 PKM (0.43) PKMMEN1MAPK1KMT2A
SCHEMBL17353545 0.85 GPR35 (0.57) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL4436638 0.85 GPR35 (0.57) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL8516407 0.85 GPR35 (0.57) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL7474906 0.85 GPR35 (0.57) GPR35CYSLTR2CYSLTR1BIDMCL1
SCHEMBL586816 0.84 LIPG (0.40) GPR35CYSLTR2CYSLTR1LIPGMEN1
SCHEMBL979606 0.84 LIPG (0.40) GPR35CYSLTR2CYSLTR1LIPGMEN1

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-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed