SCHEMBL6818941

SCHEMBL6818941

COC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
HIF1A Q16665 2/20 0.34
PPARG P37231 1/20 0.34
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
PYGL P06737 1/20 0.33
PYGM P11217 1/20 0.33
PDE10A Q9Y233 1/20 0.32
CA2 P00918 1/20 0.32
GPR6 P46095 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 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
SCHEMBL6819350 0.93 HIF1A (0.39) ALBGSK3AGSK3BHIF1AMAPT
SCHEMBL6818895 0.92 GSK3A (0.37) ALBGSK3AGSK3BHIF1APPARG
SCHEMBL6814223 0.91 HIF1A (0.40) ALBGSK3AGSK3BHIF1AMAPT
SCHEMBL6817465 0.89 GSK3A (0.37) ALBGSK3AGSK3BHIF1APPARG
SCHEMBL6818384 0.87 ALB (0.39) ALBGSK3AGSK3BHIF1APPARG
SCHEMBL6817836 0.86 ALB (0.38) ALBGSK3AGSK3BHIF1APYGL
SCHEMBL6818579 0.86 HIF1A (0.38) ALBGSK3AGSK3BHIF1ATP53
SCHEMBL6818328 0.85 RXFP1 (0.38) ALBHIF1APPARGTP53RXFP1
SCHEMBL6818723 0.85 EGLN2 (0.38) ALBHIF1ATP53RXFP1MAPT
SCHEMBL6821784 0.84 HIF1A (0.38) ALBGSK3AGSK3BHIF1APOLB

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