SCHEMBL9729612

SCHEMBL9729612

O=C(NC(=O)c1c(F)cc(F)cc1F)Nc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
P2RY1 P47900 1/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CYP3A4 P08684 2/20 0.42
GAA P10253 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 1/20 0.42
NTRK1 P04629 2/20 0.42
POLB P06746 1/20 0.41
NTRK2 Q16620 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL9729542 0.90 RAB9A (0.41) KIF11MEN1KMT2AHTTNPC1
SCHEMBL29608194 0.89 MEN1 (0.54) KIF11MEN1KMT2AP2RY1CYP1A2
SCHEMBL352658 0.89 MEN1 (0.54) KIF11MEN1KMT2AP2RY1CYP1A2
SCHEMBL9728475 0.87 MEN1 (0.39) KIF11MEN1KMT2AHTTNPC1
SCHEMBL10338942 0.83 BRAF (0.46) MEN1KMT2AP2RY1
SCHEMBL9743981 0.80 MEN1 (0.43) MEN1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL9727936 0.80 KMT2A (0.40) MEN1KMT2AP2RY1HTTNPC1
SCHEMBL9728803 0.79 MEN1 (0.52) KIF11MEN1KMT2AHTTNPC1
SCHEMBL10606310 0.79 MEN1 (0.52) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL10647027 0.79 PYGL (0.61) NPC1RAB9ANTRK1TRPV1

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
EP-0246061-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-18 EP disclosed