SCHEMBL6814736

SCHEMBL6814736

COC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2S(N)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALB P02768 2/20 0.37
F10 P00742 7/20 0.37
RXFP1 Q9HBX9 1/20 0.36
HIF1A Q16665 5/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CETP P11597 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
F2 P00734 2/20 0.33

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
SCHEMBL6819169 0.87 ALB (0.40) MAPTALBF10HIF1ACA1
SCHEMBL6818328 0.87 RXFP1 (0.38) TP53POLBMAPTALBF10
SCHEMBL6819032 0.86 ALB (0.40) POLBALBF10HIF1ACA1
SCHEMBL6819165 0.85 ALB (0.39) MAPTALBF10HIF1ACA1
SCHEMBL6817333 0.83 PPARG (0.39) ALBHIF1ACA1CA2CA9
SCHEMBL6822221 0.83 ALB (0.39) MAPTALBF10HIF1ACA1
SCHEMBL6818295 0.82 ALB (0.36) TP53POLBMAPTALBF10
SCHEMBL6814223 0.82 HIF1A (0.40) POLBMAPTALBHIF1ACA1
SCHEMBL6819350 0.81 HIF1A (0.39) POLBMAPTALBHIF1ACA1
SCHEMBL6818640 0.81 PPARG (0.39) ALBHIF1ACA1CA2CA9

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed