SCHEMBL6821784

SCHEMBL6821784

CC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
ALB P02768 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PRSS12 P56730 1/20 0.36
SERPINE1 P05121 2/20 0.36
CDK2 P24941 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35
PTPN1 P18031 1/20 0.34
HTT P42858 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
SCHEMBL6818895 0.93 GSK3A (0.37) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6818843 0.92 PPARG (0.42) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6819350 0.91 HIF1A (0.39) HIF1AGSK3AGSK3BALBALDH1A1
SCHEMBL6817639 0.91 ALB (0.36) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6817465 0.90 GSK3A (0.37) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6814844 0.90 STING1 (0.40) GSK3AGSK3BALBKDM4EHSD17B10
SCHEMBL6818611 0.89 KDM4E (0.37) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6814223 0.89 HIF1A (0.40) HIF1AGSK3AGSK3BALBALDH1A1
SCHEMBL6818765 0.88 ALB (0.37) HIF1AGSK3AGSK3BALBKDM4E
SCHEMBL6818177 0.87 ALB (0.35) HIF1AALBKDM4EHSD17B10POLB

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