SCHEMBL25826329

SCHEMBL25826329

Cc1cc(CC#N)cc(C(F)(F)F)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.44
ALDH1A1 P00352 12/20 0.44
HPGD P15428 9/20 0.44
GLA P06280 8/20 0.44
GAA P10253 8/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ATM Q13315 1/20 0.38
AR P10275 2/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 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
SCHEMBL24146616 0.88 KDM4E (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL26312453 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL25786462 0.82 KDM4E (0.40) KDM4EALDH1A1HPGDGAAMEN1
SCHEMBL24149745 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL24147888 0.81 KDM4E (0.38) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL25826340 0.80 RXRA (0.37) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL25856508 0.78 KDM4E (0.36) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL26312438 0.77 PYCR1 (0.38) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL24170162 0.77 TRPV4 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL25613913 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGLAGAA

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
US-20230240138-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230232712-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-20 US disclosed