SCHEMBL9215348

SCHEMBL9215348

Cn1nc(C(F)(F)F)c(N(C=O)c2ccc(F)cc2F)c1Sc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP2C19 P33261 4/20 0.50
CYP3A4 P08684 3/20 0.50
GAA P10253 3/20 0.50
CYP2D6 P10635 2/20 0.50
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
NOTUM Q6P988 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
SCHEMBL9213149 0.93 NPSR1 (0.44) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9213951 0.93 NPSR1 (0.45) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9209461 0.91 NPSR1 (0.48) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9220306 0.88 NPSR1 (0.55) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9216821 0.88 NPSR1 (0.55) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9544722 0.88 NPSR1 (0.46) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9545337 0.88 NPSR1 (0.47) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9218210 0.87 NPSR1 (0.47) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9211366 0.87 NPSR1 (0.55) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9219939 0.87 NPSR1 (0.45) NPSR1CYP1A2CYP2C9CYP2C19CYP3A4

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