SCHEMBL9216113

SCHEMBL9216113

CSc1c(N(C=O)c2ccc(F)cc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL9544722 0.90 NPSR1 (0.46) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9216955 0.89 NPSR1 (0.38) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9209461 0.88 NPSR1 (0.48) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9216963 0.88 NPSR1 (0.38) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9220382 0.88 NPSR1 (0.38) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9213149 0.86 NPSR1 (0.44) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544909 0.86 NPSR1 (0.36) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9219291 0.86 NPSR1 (0.36) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9215348 0.86 NPSR1 (0.50) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544365 0.86 NPSR1 (0.36) NPSR1GAACYP1A2CYP3A4CYP2C9

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