SCHEMBL9728725

SCHEMBL9728725

CC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDR P35968 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DHODH Q02127 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PDK1 Q15118 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PTPN5 P54829 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL29556507 0.85 HDAC1 (0.45) MEN1KMT2AHDAC1HDAC6DHODH
SCHEMBL9728167 0.85 HDAC1 (0.45) MEN1KMT2AHDAC1HDAC6DHODH
SCHEMBL13647548 0.84 MEN1 (0.44) MEN1KMT2AKDRTRPV1CA1
SCHEMBL16637221 0.83 KDM4E (0.45) MEN1KMT2AKDRTRPV1PDK1
SCHEMBL31569318 0.81 HDAC1 (0.47) MEN1KMT2AHDAC1HDAC6DHODH
SCHEMBL30140022 0.79 ALDH1A1 (0.48) MEN1KMT2AKDRTRPV1PDK1
SCHEMBL16647226 0.79 ALDH1A1 (0.48) MEN1KMT2AKDRTRPV1PDK1
SCHEMBL8521312 0.78 KIF11 (0.41) MEN1KMT2ATRPV1HDAC1HDAC6
SCHEMBL10347961 0.78 HDAC1 (0.47) MEN1KMT2AHDAC1HDAC6DHODH
SCHEMBL12494663 0.77 EPHX1 (0.46) MEN1KMT2AHDAC1HDAC6CA1

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 2 patents. 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
EP-0246061-A2 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-19 EP disclosed