SCHEMBL9728568

SCHEMBL9728568

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HTT P42858 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9728939 0.89 KMT2A (0.46) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9727918 0.89 MEN1 (0.50) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9727936 0.87 KMT2A (0.40) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9728475 0.81 MEN1 (0.39) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9728667 0.81 KMT2A (0.47) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9727748 0.81 MEN1 (0.52) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9728416 0.79 KMT2A (0.59) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9728328 0.79 MEN1 (0.49) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL9729542 0.76 RAB9A (0.41) KMT2AMEN1MAPTUSP2ALOX15
SCHEMBL10615766 0.76 EPHX2 (0.44) KMT2AMEN1MAPTUSP2ALOX15

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