SCHEMBL9218263

SCHEMBL9218263

Cn1nc(C(F)(F)F)c(N(C=O)c2ccc(F)cc2F)c1SCC=CBr

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
GAA P10253 3/20 0.35
CYP2D6 P10635 2/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9219503 0.91 NPSR1 (0.35) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9215111 0.91 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9219291 0.89 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9216963 0.87 NPSR1 (0.38) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9209396 0.87 NPSR1 (0.37) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9544909 0.85 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9208815 0.85 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9215223 0.85 NPSR1 (0.37) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9544365 0.85 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9216113 0.84 NPSR1 (0.39) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP claimed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO claimed
EP-0644879-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1995-03-29 EP disclosed
WO-1993025535-A1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES RHONE POULENC AGRICULTURE LTD. (GB) 1993-12-23 WO disclosed