SCHEMBL9029643

SCHEMBL9029643

CO/C=C(\C(=O)OC)c1ccccc1/C(=C\F)c1nc(-c2ccccc2)cs1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
DHODH Q02127 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GSTO1 P78417 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
PARP1 P09874 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL9027817 0.75 MAPT (0.43) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL8617249 0.71 GAA (0.47) MEN1KMT2AKDM4EGAA
SCHEMBL28768175 0.71 GAA (0.47) MEN1KMT2AKDM4EGAA
SCHEMBL8617255 0.71 GAA (0.47) MEN1KMT2AKDM4EGAA
SCHEMBL9027016 0.71 EIF4E (0.41) MAPTKDM4EGAA
SCHEMBL9026598 0.71 EIF4E (0.41) MAPTKDM4EGAA
SCHEMBL9029323 0.70 MAPT (0.41) MEN1KMT2ANPC1RAB9ADHODH
SCHEMBL2176868 0.70 RAB9A (0.53) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL9028092 0.69 TP53 (0.43) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL9027940 0.68 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT

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-0544587-B1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-29 EP claimed