SCHEMBL9728256

SCHEMBL9728256

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTPN5 P54829 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL9728919 0.90 HDAC1 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728167 0.86 HDAC1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL29556507 0.86 HDAC1 (0.45) HDAC1HDAC6CA1CA2CA9
SCHEMBL1645001 0.78 HDAC1 (0.53) HDAC1HDAC6CA1CA2CA9
SCHEMBL8521312 0.76 KIF11 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728725 0.75 MEN1 (0.44) HDAC1HDAC6CA1CA2CA9
SCHEMBL9728267 0.75 HDAC1 (0.53) HDAC1HDAC6CA1CA2CA9
SCHEMBL30984296 0.73 EPHX2 (0.41) HDAC1HDAC6CA1CA2CA9
SCHEMBL5540157 0.72 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12494663 0.72 EPHX1 (0.46) HDAC1HDAC6CA1CA2CA9

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