SCHEMBL9616201

SCHEMBL9616201

Nc1cc(Cl)c(OCC(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
USP2 O75604 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
THRB P10828 1/20 0.55
G6PD P11413 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CNR2 P34972 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
GAA P10253 2/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
PYGL P06737 1/20 0.34

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
SCHEMBL17543522 0.93 MAPT (0.55) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL23915315 0.87 MAPT (0.60) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9873603 0.80 ALDH1A1 (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL26416955 0.76 MAPT (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29470092 0.75 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30041450 0.75 ALOX5AP (0.39) HSP90AB1ALOX15ALOX5APFEN1GAA
SCHEMBL24696922 0.75 ALOX5AP (0.39) HSP90AB1ALOX15ALOX5APFEN1GAA
SCHEMBL30780916 0.74 MAPT (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL2564423 0.74 MAPT (0.52) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL23915318 0.74 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3246261-A None JP disclosed
US-5132325-A BENZOYLPHENYLUREAS THE PREPARATION THEREOF AND THE USE THEREOF IN PEST CONTROL CIBA-GEIGY CORPORATION (US) 1992-07-21 US disclosed
JP-H03246261-A ANILINE DERIVATIVE CIBA GEIGY AG 1991-11-01 JP disclosed