SCHEMBL9654071

SCHEMBL9654071

CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 1/20 0.48
LMNA P02545 7/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL1154470 0.82 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL9654019 0.82 FFAR1 (0.43)
SCHEMBL1154276 0.78 LMNA (0.56) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL11406933 0.78 KDM4E (0.50) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL1153371 0.77 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL31259495 0.74 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL16638539 0.74 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL3748894 0.74 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL8635319 0.74 RAB9A (0.66) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL11360493 0.73 SMN1; SMN2 (0.71) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2

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-0263438-B1 BENZOYLUREA COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-07-15 EP disclosed
US-4985449-A N-benzoyl-N-pyridyloxy phenyl urea compounds and pesticide compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1991-01-15 US disclosed
US-4861799-A INSSECTICIDES ISHIHARA SANGYO KAISHA LTD. (JP) 1989-08-29 US disclosed
EP-0263438-A2 Benzoylurea compounds, process for their production and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1988-04-13 EP disclosed