SCHEMBL6818190

SCHEMBL6818190

CC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1cccnn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.32
HIF1A Q16665 5/20 0.32
PDE10A Q9Y233 1/20 0.32
CDK2 P24941 1/20 0.31
CA12 O43570 2/20 0.31
CA7 P43166 2/20 0.31
PPARG P37231 1/20 0.31
PKM P14618 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
STING1 Q86WV6 1/20 0.30
PTGER4 P35408 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL6818783 0.98 ALB (0.35) ALBKDM4EHSD17B10KMT2AHIF1A
SCHEMBL6817659 0.91 DHODH (0.35) ALBKDM4EKMT2AHIF1APDE10A
SCHEMBL6818611 0.89 KDM4E (0.37) ALBKDM4EHSD17B10KMT2AHIF1A
SCHEMBL6814351 0.88 HIF1A (0.40) ALBKDM4EHIF1ACA12CA7
SCHEMBL6821646 0.87 KDM4E (0.38) ALBKDM4EHSD17B10KMT2AHIF1A
SCHEMBL6821784 0.87 HIF1A (0.38) ALBKDM4EHSD17B10KMT2AHIF1A
SCHEMBL6818843 0.86 PPARG (0.42) ALBKDM4EHSD17B10HIF1APPARG
SCHEMBL6818175 0.85 ALB (0.36) ALBKDM4EHSD17B10HIF1APDE10A
SCHEMBL6814844 0.85 STING1 (0.40) ALBKDM4EHSD17B10PDE10APPARG
SCHEMBL6818895 0.85 GSK3A (0.37) ALBKDM4EHSD17B10HIF1APDE10A

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