SCHEMBL21884023

SCHEMBL21884023

Cc1c(C)c(O)c(C)c(C#N)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
UPP1 Q16831 3/20 0.33
TTR P02766 1/20 0.31
ALB P02768 1/20 0.31
IMPDH2 P12268 1/20 0.30
HSD17B3 P37058 1/20 0.30

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
SCHEMBL21425811 0.95 KDM4E (0.39) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23638562 0.92 KDM4E (0.37) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL16639874 0.89 KDM4E (0.39) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23638853 0.86 KDM4E (0.37) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23638559 0.86 KDM4E (0.37) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23638802 0.84 KDM4E (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23638605 0.84 KDM4E (0.36) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13389003 0.83 ALDH1A1 (0.37) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL23031757 0.80 KDM4E (0.40) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL13387595 0.80 ALDH1A1 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1

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
WO-2020059326-A1 BENZONITRILE DERIVATIVE AND MANUFACTURING METHOD THEREFOR, INK COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, LIGHT-EMITTING MATERIAL, CHARGE TRANSPORT MATERIAL, LIGHT-EMITTING THIN FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT コニカミノルタ株式会社 2020-03-26 WO disclosed