SCHEMBL6817836

SCHEMBL6817836

COC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.38
HIF1A Q16665 5/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
GPR6 P46095 1/20 0.35
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
LRRK2 Q5S007 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPK14 Q16539 1/20 0.33
GRM5 P41594 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL6818611 0.92 KDM4E (0.37) ALBHIF1AKMT2AKDM4EMEN1
SCHEMBL6818384 0.90 ALB (0.39) ALBHIF1AGPR6PYGLPYGM
SCHEMBL6818019 0.90 KDM4E (0.38) ALBHIF1AKMT2AKDM4EMEN1
SCHEMBL6821646 0.90 KDM4E (0.38) ALBHIF1AKMT2AKDM4EMEN1
SCHEMBL6819350 0.89 HIF1A (0.39) ALBHIF1AKMT2AGSK3AGSK3B
SCHEMBL6818579 0.87 HIF1A (0.38) ALBHIF1AKMT2AMEN1LRRK2
SCHEMBL6814223 0.87 HIF1A (0.40) ALBHIF1AKMT2AGSK3AGSK3B
SCHEMBL6818941 0.86 ALB (0.37) ALBHIF1AKDM4EGPR6PYGL
SCHEMBL6821275 0.85 HIF1A (0.38) ALBHIF1AKMT2AMEN1LRRK2
SCHEMBL6818898 0.84 TP53 (0.36) ALBHIF1AKMT2AMEN1HTT

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