SCHEMBL6914494

SCHEMBL6914494

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)c3cccs3)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STK33 Q9BYT3 11/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6918323 0.90 STK33 (0.51) GPR35MEN1KMT2ASTK33POLB
SCHEMBL6713465 0.89 GPR35 (0.43) GPR35TDP1
SCHEMBL6712048 0.88 GPR35 (0.39) GPR35MEN1KMT2ASTK33POLB
SCHEMBL6708888 0.88 KDM4E (0.43) GPR35MEN1KMT2APOLBTDP1
SCHEMBL6709175 0.88 STK33 (0.40) GPR35MEN1KMT2ASTK33POLB
SCHEMBL1307817 0.87 GPR35 (0.61) GPR35MEN1KMT2ASTK33POLB
SCHEMBL6711741 0.87 HIF1A (0.47) GPR35MEN1KMT2ASTK33TDP1
SCHEMBL6707953 0.87 MAP3K5 (0.45) GPR35POLBTDP1
SCHEMBL6711486 0.86 NPC1 (0.42) SMN1; SMN2NPC1RAB9A
SCHEMBL6708158 0.84 GPR35 (0.38) GPR35POLB

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-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed