SCHEMBL20039982

SCHEMBL20039982

CC(c1ccc(CC#N)cc1)c1ccc(CC#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.41
ESR2 Q92731 6/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.37
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
HCK P08631 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
EPHB4 P54760 1/20 0.35
PRKDC P78527 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
KDM4E B2RXH2 1/20 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
SCHEMBL8992978 0.92 MAOB (0.42) ESR1ESR2PDCD1CD274L3MBTL1
SCHEMBL20039888 0.89 KMT2A (0.41) ESR1ESR2PDCD1CD274L3MBTL1
SCHEMBL2294887 0.86 IDO1 (0.47) ESR1ESR2L3MBTL1KMT2APIK3CD
SCHEMBL31003340 0.83 PGR (0.41) ESR1ESR2L3MBTL1KMT2APIK3CD
SCHEMBL27473073 0.83 L3MBTL1 (0.37) ESR1ESR2L3MBTL1KMT2APIK3CD
SCHEMBL14370178 0.81 ALDH1A1 (0.40) ESR1ESR2L3MBTL1TDP1PKM
Hydrochloric Acid SCHEMBL31577514 0.81 ADRB2 (0.43) ESR1ESR2L3MBTL1KMT2APIK3CD
SCHEMBL2154504 0.80 KMT2A (0.47) L3MBTL1KMT2AKDM4ETDP1PKM
SCHEMBL22349666 0.79 L3MBTL1 (0.35) ESR1ESR2L3MBTL1KMT2APIK3CD
SCHEMBL8993157 0.79 CASR (0.48) L3MBTL1KMT2APKMMEN1

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-3149798-B1 POLYMER FOR USE AS PROTECTIVE LAYERS AND OTHER COMPONENTS IN ELECTROCHEMICAL CELLS BASF SE (DE) 2018-04-11 EP disclosed