SCHEMBL6819374

SCHEMBL6819374

CC(=O)Nc1ccc(-c2cc3onc(C(=O)Nc4ccc(C#N)cc4C(=O)O)c3cc2N(C)C(C)=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.34
ALB P02768 2/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 3/20 0.32
LRRK2 Q5S007 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK14 Q16539 1/20 0.32
PPARG P37231 1/20 0.31
RORC P51449 1/20 0.31
EIF4E P06730 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
F10 P00742 1/20 0.31
EPAS1 Q99814 1/20 0.31

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
SCHEMBL6821811 0.91 ALB (0.34) ALBPOLBTP53MAPTHIF1A
SCHEMBL6818625 0.90 MAP2K1 (0.34) ALBPOLBTP53MAPTHIF1A
SCHEMBL6818674 0.89 ALB (0.35) ALBPOLBMAPTHIF1ALRRK2
SCHEMBL6818290 0.89 EGLN2 (0.37) EGLN2ALBPOLBTP53MAPT
SCHEMBL6814235 0.88 EGLN2 (0.37) EGLN2ALBPOLBTP53MAPT
SCHEMBL6822517 0.88 EGLN2 (0.39) EGLN2ALBPOLBTP53MAPT
SCHEMBL6822336 0.88 MAP2K1 (0.33) ALBPOLBTP53MAPTHIF1A
SCHEMBL6818149 0.88 LRRK2 (0.36) EGLN2ALBPOLBTP53MAPT
SCHEMBL6822410 0.88 EGLN2 (0.38) EGLN2ALBPOLBTP53MAPT
SCHEMBL6818327 0.87 ALB (0.34) ALBMAPTHIF1ALRRK2MAPK14

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