SCHEMBL6920531

SCHEMBL6920531

CC(=O)OCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12.O=C(Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
HIF1A Q16665 1/20 0.41
GPR35 Q9HC97 10/20 0.41
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6712466 0.96 GPR35 (0.39) NPSR1RXFP1HIF1AGPR35POLB
SCHEMBL6711741 0.90 HIF1A (0.47) NPSR1RXFP1HIF1AGPR35MAPT
SCHEMBL6711411 0.88 GPR35 (0.42) NPSR1RXFP1HIF1AGPR35POLB
SCHEMBL6710114 0.88 KMT2A (0.42) NPSR1RXFP1GPR35POLBMAPT
SCHEMBL6713465 0.86 GPR35 (0.43) NPSR1RXFP1HIF1AGPR35
SCHEMBL6713366 0.86 ADORA3 (0.39) NPSR1RXFP1HIF1AGPR35POLB
SCHEMBL6920529 0.86 L3MBTL1 (0.36) NPSR1RXFP1HIF1AGPR35MAPT
SCHEMBL6710241 0.86 GPR35 (0.43) NPSR1RXFP1HIF1AGPR35POLB
SCHEMBL6710320 0.85 PARP14 (0.39) NPSR1RXFP1HIF1AGPR35POLB
SCHEMBL6707737 0.85 GPR35 (0.40) NPSR1RXFP1HIF1AGPR35POLB

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