SCHEMBL8577662

SCHEMBL8577662

CC(C)(CCl)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
LMNA P02545 2/20 0.69
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 4/20 0.57
CNR2 P34972 1/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 3/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 3/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 1/20 0.54

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
SCHEMBL11827252 0.87 TP53 (0.58) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL11877575 0.86 HTT (0.59) HTTLMNAMAPTMEN1KMT2A
SCHEMBL10334119 0.84 CYP3A4 (0.56) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL19638004 0.84 CYP3A4 (0.56) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL30977683 0.83 TP53 (0.65) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL4455493 0.83 TP53 (0.65) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL3959053 0.82 HTT (1.00) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL21316522 0.81 TP53 (0.58) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL19638028 0.80 MAPT (0.64) HTTLMNACYP3A4CYP2C19CNR2
SCHEMBL2883710 0.80 MAPT (0.68) HTTLMNATP53SMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789419-A CARDIOVASCULAR AND BRONCHIAL DISORDERS SS PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed
CN-1150420-A 4-quinolinone derivative or salt thereof SS PHARMACEUTICAL CO (JP) 1997-05-21 CN disclosed
EP-0764639-A1 4-QUINOLINONE DERIVATIVE OR SALT THEREOF SS PHARMACEUTICAL CO., LTD. (JP) 1997-03-26 EP disclosed