SCHEMBL6822044

SCHEMBL6822044

CC(=O)N(C)c1ccc(-c2cc3c(C(=O)Nc4ccc(C#N)cc4C(=O)O)noc3cc2N(C)C(C)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.35
HIF1A Q16665 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PGR P06401 3/20 0.33
F10 P00742 1/20 0.32
PRSS12 P56730 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
ITK Q08881 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6821553 0.90 ALB (0.35) ALBHIF1AALDH1A1PGRF10
SCHEMBL6818631 0.89 HIF1A (0.38) ALBHIF1AALDH1A1F10
SCHEMBL6821811 0.87 ALB (0.34) ALBHIF1AALDH1A1F10GSK3A
SCHEMBL6818914 0.86 HIF1A (0.39) ALBHIF1AALDH1A1PGRF10
SCHEMBL6818327 0.86 ALB (0.34) ALBHIF1AF10GSK3AGSK3B
SCHEMBL6818197 0.85 RXFP1 (0.35) ALBHIF1APGRPDE10A
SCHEMBL6819494 0.85 ALB (0.33) ALBHIF1AITK
SCHEMBL6818177 0.84 ALB (0.35) ALBHIF1APGRF10PRSS12
SCHEMBL6818674 0.84 ALB (0.35) ALBHIF1AALDH1A1F10GSK3A
SCHEMBL6818790 0.83 ALB (0.32) ALB

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