SCHEMBL6818327

SCHEMBL6818327

CC(=O)N(C)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.34
HIF1A Q16665 6/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 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
GPBAR1 Q8TDU6 1/20 0.32
CSF1R P07333 1/20 0.32
F10 P00742 1/20 0.32
EPAS1 Q99814 1/20 0.32
BRD4 O60885 1/20 0.32
HTT P42858 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
SCHEMBL6818674 0.98 ALB (0.35) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6821811 0.88 ALB (0.34) ALBHIF1AGSK3AGSK3BMAPT
SCHEMBL6818998 0.88 HIF1A (0.39) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6817520 0.88 HIF1A (0.43) ALBHIF1ALRRK2MAPTCA12
SCHEMBL6817639 0.87 ALB (0.36) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6819374 0.87 EGLN2 (0.34) ALBHIF1ALRRK2MAPTMAPK14
SCHEMBL6822044 0.86 ALB (0.35) ALBHIF1AGSK3AGSK3BF10
SCHEMBL6818765 0.86 ALB (0.37) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6818579 0.84 HIF1A (0.38) ALBHIF1AGSK3AGSK3BLRRK2
SCHEMBL6821640 0.83 MAPK14 (0.36) ALBHIF1AGSK3AGSK3BLRRK2

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