SCHEMBL6920529

SCHEMBL6920529

O=C(COC(=O)Cc1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)[nH]c2c(NC(=O)c3ccccc3)cccc12)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GPR35 Q9HC97 6/20 0.36
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PARP14 Q460N5 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.32
PTGFR P43088 2/20 0.32
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL6920531 0.86 NPSR1 (0.41) GPR35HIF1ANPSR1RXFP1ALDH1A1
SCHEMBL6711741 0.84 HIF1A (0.47) GPR35HIF1ANPSR1RXFP1MEN1
SCHEMBL6707938 0.83 ALDH1A1 (0.33) L3MBTL1PARP14ALDH1A1SMN1; SMN2MEN1
SCHEMBL6712466 0.82 GPR35 (0.39) GPR35HIF1ANPSR1RXFP1ALDH1A1
SCHEMBL6710114 0.82 KMT2A (0.42) L3MBTL1GPR35NPSR1RXFP1ALDH1A1
SCHEMBL6710320 0.81 PARP14 (0.39) GPR35HIF1ANPSR1RXFP1PARP14
SCHEMBL6711411 0.81 GPR35 (0.42) GPR35HIF1ANPSR1RXFP1MAPT
SCHEMBL6712050 0.81 GPR35 (0.35) GPR35
SCHEMBL6713465 0.81 GPR35 (0.43) GPR35HIF1ANPSR1RXFP1
SCHEMBL6713366 0.81 ADORA3 (0.39) GPR35HIF1ANPSR1RXFP1MEN1

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