SCHEMBL6819032

SCHEMBL6819032

N#Cc1ccc(NC(=O)c2noc3cc(S(N)(=O)=O)c(-c4ccccc4)cc23)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.40
HIF1A Q16665 6/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CDK2 P24941 1/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
PRSS12 P56730 1/20 0.35
F10 P00742 2/20 0.35
SERPINE1 P05121 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL6819165 0.93 ALB (0.39) ALBHIF1ACA1CA2CDK2
SCHEMBL6818640 0.93 PPARG (0.39) ALBHIF1ACA1CA2GSK3A
SCHEMBL6819169 0.91 ALB (0.40) ALBHIF1ACA1CA2CDK2
SCHEMBL6817333 0.90 PPARG (0.39) ALBHIF1ACA1CA2GSK3A
SCHEMBL6822221 0.87 ALB (0.39) ALBHIF1ACA1CA2CDK2
SCHEMBL6819285 0.87 ALB (0.40) ALBHIF1ACDK2GSK3AGSK3B
SCHEMBL6814736 0.86 TP53 (0.37) ALBHIF1ACA1CA2F10
SCHEMBL6819061 0.85 ALB (0.38) ALBHIF1ACDK2GSK3AGSK3B
SCHEMBL6821784 0.84 HIF1A (0.38) ALBHIF1ACDK2GSK3AGSK3B
SCHEMBL6834186 0.84 HIF1A (0.49) ALBHIF1ACDK2PRSS12SERPINE1

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