SCHEMBL9544631

SCHEMBL9544631

CC(C)CSc1c(N(C=O)c2c(F)cccc2F)c(C(F)(F)F)nn1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 6/20 0.32
CYP2C9 P11712 6/20 0.32
CYP2C19 P33261 6/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP3A4 P08684 5/20 0.31
NPSR1 Q6W5P4 3/20 0.31
CYP2D6 P10635 3/20 0.31
LMNA P02545 3/20 0.31
HTT P42858 5/20 0.31
RECQL P46063 2/20 0.31
PRNP P04156 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 2/20 0.30
ADAMTS5 Q9UNA0 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
SCHEMBL9544294 0.91 MEN1 (0.32) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9544689 0.90 ALDH1A1 (0.31) GAAALDH1A1ATMCYP1A2CYP2C9
SCHEMBL9544619 0.89 NPSR1 (0.32) GAAALDH1A1ATMCYP1A2CYP2C9
SCHEMBL9544365 0.84 NPSR1 (0.36) GAAALDH1A1ATMCYP1A2CYP2C9
SCHEMBL9544317 0.84 NPSR1 (0.35) GAAALDH1A1ATMCYP1A2CYP2C9
SCHEMBL9216780 0.80 CYP1A2 (0.46) GAACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9545479 0.77
SCHEMBL9545295 0.76 NPSR1 (0.33) GAAALDH1A1ATMCYP1A2CYP2C9
SCHEMBL9211418 0.76 NPSR1 (0.36) GAACYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL9545422 0.75 NPSR1 (0.35) GAACYP1A2CYP2C9CYP2C19CYP3A4

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