SCHEMBL9728577

SCHEMBL9728577

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(F)c(C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
PPIA P62937 1/20 0.42
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPA1 O75762 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 1/20 0.40
IL2 P60568 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
SCHEMBL9727748 0.90 MEN1 (0.52) MEN1KMT2AATMUSP2MAPT
SCHEMBL9728249 0.88 KMT2A (0.64) MEN1KMT2AATMUSP2MAPT
SCHEMBL9727936 0.88 KMT2A (0.40) MEN1KMT2AATMUSP2MAPT
SCHEMBL9727918 0.87 MEN1 (0.50) MEN1KMT2AATMUSP2MAPT
SCHEMBL8011196 0.86 MEN1 (0.51) MEN1KMT2AATMUSP2MAPT
SCHEMBL10615932 0.86 MEN1 (0.51) MEN1KMT2AATMUSP2MAPT
SCHEMBL8014447 0.86 MEN1 (0.60) MEN1KMT2AATMUSP2MAPT
SCHEMBL8011190 0.84 MEN1 (0.54) MEN1KMT2AATMUSP2MAPT
SCHEMBL13036826 0.82 MEN1 (0.50) MEN1KMT2AATMUSP2MAPT
SCHEMBL10782401 0.82 MEN1 (0.58) MEN1KMT2AATMUSP2MAPT

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