SCHEMBL6818328

SCHEMBL6818328

COC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2NC(C)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ALB P02768 2/20 0.36
HIF1A Q16665 4/20 0.35
EIF4EBP1 Q13541 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARG P37231 1/20 0.34
CETP P11597 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MOK Q9UQ07 1/20 0.33
STK4 Q13043 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL6818763 0.90 EGLN2 (0.37) TP53POLBMAPTALBHIF1A
SCHEMBL6814223 0.89 HIF1A (0.40) POLBMAPTALBHIF1A
SCHEMBL6813726 0.89 AGPAT2 (0.37) RXFP1TP53POLBMAPTALB
SCHEMBL6818738 0.88 RXFP1 (0.40) RXFP1TP53POLBMAPTALB
SCHEMBL6818713 0.88 EGLN2 (0.37) TP53POLBMAPTALBHIF1A
SCHEMBL6818851 0.88 HIF1A (0.40) RXFP1TP53POLBMAPTALB
SCHEMBL6817465 0.88 GSK3A (0.37) MAPTALBHIF1AEIF4EBP1KDM4E
SCHEMBL6817645 0.87 AGPAT2 (0.37) RXFP1TP53POLBMAPTALB
SCHEMBL6819350 0.87 HIF1A (0.39) POLBMAPTALBHIF1A
SCHEMBL6814736 0.87 TP53 (0.37) RXFP1TP53POLBMAPTALB

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