SCHEMBL9544317

SCHEMBL9544317

CC(C)CSc1c(N(C=O)c2cc(F)ccc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.35
GAA P10253 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP9 Q86TI2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9544365 0.92 NPSR1 (0.36) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544619 0.86 NPSR1 (0.32) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544294 0.85 MEN1 (0.32) NPSR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9211418 0.85 NPSR1 (0.36) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9545295 0.85 NPSR1 (0.33) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544689 0.84 ALDH1A1 (0.31) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9545422 0.84 NPSR1 (0.35) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544631 0.84 GAA (0.33) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9217372 0.83 NPSR1 (0.47) NPSR1GAACYP1A2CYP3A4CYP2C9
SCHEMBL9544863 0.83 NPSR1 (0.35) 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 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