SCHEMBL6819385

SCHEMBL6819385

COC(=O)Nc1cc2c(C(=O)Nc3ccc(C#N)cc3C(=O)O)noc2cc1-c1ccc(N(C)C(C)=O)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.33
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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
SCHEMBL6818876 0.98 ALB (0.32) ALBTP53
SCHEMBL6818582 0.94 ALB (0.33) ALBTP53POLBMAPT
SCHEMBL6817832 0.92 ALB (0.32) ALBTP53
SCHEMBL7066829 0.92 ALB (0.32) ALB
SCHEMBL6821704 0.91 HIF1A (0.35) ALBTP53POLBMAPT
SCHEMBL6821300 0.90 ALB (0.33) ALBTP53POLBMAPT
SCHEMBL6819209 0.90 HIF1A (0.34) ALBTP53POLBMAPT
SCHEMBL6817662 0.90 ALB (0.33) ALBTP53POLBMAPT
SCHEMBL6819494 0.90 ALB (0.33) ALB
SCHEMBL6818790 0.90 ALB (0.32) ALBTP53

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