SCHEMBL6818197

SCHEMBL6818197

COC(=O)N(C)c1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccc(NC(C)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
PGR P06401 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALB P02768 2/20 0.34
HIF1A Q16665 5/20 0.33
MOK Q9UQ07 1/20 0.33
PPARG P37231 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
CETP P11597 3/20 0.32
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PLAU P00749 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
SCHEMBL6818177 0.87 ALB (0.35) RXFP1PGRTP53POLBMAPT
SCHEMBL6819802 0.86 TP53 (0.33) TP53POLBMAPTALBCETP
SCHEMBL6818738 0.86 RXFP1 (0.40) RXFP1TP53POLBMAPTALB
SCHEMBL6819197 0.86 TP53 (0.37) RXFP1TP53POLBMAPTALB
SCHEMBL6818851 0.86 HIF1A (0.40) RXFP1TP53POLBMAPTALB
SCHEMBL6822044 0.85 ALB (0.35) PGRALBHIF1APDE10A
SCHEMBL6818328 0.84 RXFP1 (0.38) RXFP1TP53POLBMAPTALB
SCHEMBL6819374 0.83 EGLN2 (0.34) TP53POLBMAPTALBHIF1A
SCHEMBL6822336 0.83 MAP2K1 (0.33) TP53POLBMAPTALBHIF1A
SCHEMBL6817726 0.82 HIF1A (0.41) RXFP1ALBHIF1AMOKPPARG

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