SCHEMBL9029323

SCHEMBL9029323

COC=C(C(=O)O)c1ccccc1C=C(F)c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
TP53 P04637 2/20 0.37
THRB P10828 2/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
USP8 P40818 1/20 0.36
DHODH Q02127 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL9028092 0.91 TP53 (0.43) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL9027940 0.90 MAPT (0.46) MAPTTHRBMEN1KMT2ARAB9A
SCHEMBL9034763 0.87 MAPT (0.41) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL9027817 0.84 MAPT (0.43) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL9029522 0.80 KDM4E (0.34) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL9401101 0.79 MAPT (0.44) MAPTTP53THRBMEN1KMT2A
SCHEMBL9026598 0.79 EIF4E (0.41) MAPTTP53THRBKDM4EPOLB
SCHEMBL9027016 0.79 EIF4E (0.41) MAPTTP53THRBKDM4EPOLB
SCHEMBL9028920 0.73 RORB (0.33) MAPTMEN1KMT2AKDM4EDHODH
SCHEMBL9401102 0.72 MAPT (0.46) MAPTTP53THRBMEN1KMT2A

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-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 disclosed
EP-0544587-A1 Alpha-methylene-2-vinyl-benzeneacetic acid derivatives, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-06-02 EP disclosed