SCHEMBL9545293

SCHEMBL9545293

CCn1nc(C(F)(F)F)c(N(C=O)c2ccc(F)cc2F)c1SCC(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
ATM Q13315 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
SCHEMBL9544696 0.90
SCHEMBL9544365 0.89 NPSR1 (0.36) ALDH1A1GAAATM
SCHEMBL9545479 0.88
SCHEMBL9544679 0.87
SCHEMBL9545422 0.82 NPSR1 (0.35) GAA
SCHEMBL9545295 0.81 NPSR1 (0.33) ALDH1A1GAAATM
SCHEMBL9211418 0.81 NPSR1 (0.36) GAA
SCHEMBL9544317 0.81 NPSR1 (0.35) ALDH1A1GAAATM
SCHEMBL9216963 0.79 NPSR1 (0.38) ALDH1A1GAA
SCHEMBL9544863 0.79 NPSR1 (0.35) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO claimed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed