SCHEMBL9219291

SCHEMBL9219291

C=CCSc1c(N(C=O)c2ccc(F)cc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C9 P11712 3/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9215296 0.90 NPSR1 (0.35) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9219503 0.89 NPSR1 (0.35) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9216963 0.89 NPSR1 (0.38) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9218263 0.89 NPSR1 (0.35) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9215111 0.89 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9209396 0.89 NPSR1 (0.37) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9544679 0.89
SCHEMBL9544909 0.87 NPSR1 (0.36) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9215223 0.87 NPSR1 (0.37) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9545278 0.87 NPSR1 (0.37) NPSR1CYP1A2CYP3A4CYP2C19CYP2D6

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