SCHEMBL6818579

SCHEMBL6818579

COC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.38
ALB P02768 2/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CSF1R P07333 1/20 0.34
F10 P00742 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 2/20 0.34
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6821275 0.97 HIF1A (0.38) HIF1AALBCA12CA1CA4
SCHEMBL6817639 0.92 ALB (0.36) HIF1AALBCA12CA1CA4
SCHEMBL6819350 0.91 HIF1A (0.39) HIF1AALBCA12CA1CA4
SCHEMBL6818723 0.90 EGLN2 (0.38) HIF1AALBCA12CA1CA4
SCHEMBL6821640 0.89 MAPK14 (0.36) HIF1AALBCA12CA1CA4
SCHEMBL6818765 0.89 ALB (0.37) HIF1AALBCA12CA1CA4
SCHEMBL6818898 0.89 TP53 (0.36) HIF1AALBMEN1KMT2ATP53
SCHEMBL6814223 0.88 HIF1A (0.40) HIF1AALBCA12CA1CA4
SCHEMBL6817616 0.88 EGLN2 (0.39) HIF1AALBCA12CA1CA4
SCHEMBL6818998 0.87 HIF1A (0.39) HIF1AALBCA12CA1CA4

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