SCHEMBL6818295

SCHEMBL6818295

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2S(N)(=O)=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
F10 P00742 2/20 0.35
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
TP53 P04637 1/20 0.34
CA4 P22748 1/20 0.33
HIF1A Q16665 4/20 0.33
LRRK2 Q5S007 3/20 0.33
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK14 Q16539 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
SCHEMBL6818290 0.89 EGLN2 (0.37) ALBEGLN2F10POLBMAPT
SCHEMBL6814235 0.88 EGLN2 (0.37) ALBEGLN2F10POLBMAPT
SCHEMBL6822221 0.88 ALB (0.39) ALBF10MAPTCA2CA1
SCHEMBL6822517 0.88 EGLN2 (0.39) ALBEGLN2F10POLBMAPT
SCHEMBL6818149 0.88 LRRK2 (0.36) ALBEGLN2POLBMAPTTP53
SCHEMBL6822410 0.88 EGLN2 (0.38) ALBEGLN2F10POLBMAPT
SCHEMBL6822324 0.86 RXFP1 (0.40) ALBEGLN2POLBMAPTTP53
SCHEMBL6818824 0.85 HIF1A (0.37) ALBEGLN2POLBMAPTCA2
SCHEMBL6818086 0.85 EGLN2 (0.35) ALBEGLN2F10POLBMAPT
SCHEMBL6818970 0.85 HSP90AB1 (0.36) ALBEGLN2POLBMAPTTP53

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