SCHEMBL11271479

SCHEMBL11271479

CC(C)c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C19 P33261 1/20 0.68
HPGD P15428 2/20 0.65
LMNA P02545 4/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.49
LIPE Q05469 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
PPARG P37231 1/20 0.45

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
SCHEMBL11268476 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL1154267 0.82 CYP1A2 (0.73) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL10997440 0.81 CYP1A2 (0.71) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL2963408 0.81 CYP1A2 (1.00) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL11267257 0.79 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL9821906 0.78 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL10440879 0.77 RAB9A (0.72) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL10692045 0.77 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL9374430 0.76 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDLMNA
SCHEMBL920481 0.75 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310530-A N-benzoyl N-pyridyloxy phenyl urea ISHIHARA SANGYO KAISHA LTD. (JP) 1982-01-12 US disclosed