SCHEMBL9728475

SCHEMBL9728475

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.37
KIF11 P52732 1/20 0.37
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
GAA P10253 3/20 0.36
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
RECQL P46063 1/20 0.36

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 0.93 RAB9A (0.41) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9728378 0.90 MEN1 (0.50) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9729612 0.87 KIF11 (0.46) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9728803 0.82 MEN1 (0.52) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9728568 0.81 KMT2A (0.38) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9728939 0.79 KMT2A (0.46) MEN1KMT2ARAB9ANPC1PKM
SCHEMBL352658 0.77 MEN1 (0.54) MEN1KMT2AKIF11MAPTUSP2
SCHEMBL29608194 0.77 MEN1 (0.54) MEN1KMT2AKIF11MAPTUSP2
SCHEMBL8657856 0.73 KMT2A (0.59) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL9728667 0.73 KMT2A (0.47) MEN1KMT2ARAB9ANPC1MAPT

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