SCHEMBL6818674

SCHEMBL6818674

CC(=O)N(C)c1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.35
HIF1A Q16665 6/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
EPAS1 Q99814 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.33
LRRK2 Q5S007 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CSF1R P07333 1/20 0.32
F10 P00742 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
SCHEMBL6818327 0.98 ALB (0.34) ALBHIF1AEPAS1GSK3AGSK3B
SCHEMBL6821811 0.91 ALB (0.34) ALBHIF1AALDH1A1POLBGSK3A
SCHEMBL6817520 0.90 HIF1A (0.43) ALBHIF1AALDH1A1POLBMAPT
SCHEMBL6819374 0.89 EGLN2 (0.34) ALBHIF1AALDH1A1POLBEPAS1
SCHEMBL6818998 0.87 HIF1A (0.39) ALBHIF1AALDH1A1POLBEPAS1
SCHEMBL6818765 0.87 ALB (0.37) ALBHIF1AALDH1A1POLBGSK3A
SCHEMBL6817639 0.86 ALB (0.36) ALBHIF1AEPAS1GSK3AGSK3B
SCHEMBL6822044 0.84 ALB (0.35) ALBHIF1AALDH1A1GSK3AGSK3B
SCHEMBL6821275 0.84 HIF1A (0.38) ALBHIF1AALDH1A1POLBGSK3A
SCHEMBL6819494 0.83 ALB (0.33) ALBHIF1ACDK2

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