SCHEMBL26312438

SCHEMBL26312438

C#Cc1c(C(F)(F)F)cc(CC#N)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.38
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
KDM4E B2RXH2 9/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 7/20 0.33
ALDH1A1 P00352 6/20 0.33
GLA P06280 6/20 0.33
GAA P10253 6/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AR P10275 2/20 0.33
CTSK P43235 1/20 0.32
PTPRC P08575 1/20 0.31
PTPN1 P18031 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL25856533 0.89 AR (0.38) PYCR1RXRARXRBRXRGKDM4E
SCHEMBL25856508 0.85 KDM4E (0.36) PYCR1RXRARXRBRXRGKDM4E
SCHEMBL24146616 0.85 KDM4E (0.42) RXRARXRBRXRGKDM4ETDP1
SCHEMBL26312448 0.80 RXRA (0.33) PYCR1RXRARXRBRXRGKDM4E
SCHEMBL24149745 0.79 KDM4E (0.38) RXRARXRBRXRGKDM4ETDP1
SCHEMBL24147888 0.79 KDM4E (0.38) RXRARXRBRXRGKDM4ETDP1
SCHEMBL24147891 0.79 RXRA (0.38) PYCR1RXRARXRBRXRGKDM4E
SCHEMBL25985314 0.79 RXRA (0.38) PYCR1RXRARXRBRXRGKDM4E
SCHEMBL26312453 0.77 ALDH1A1 (0.42) RXRARXRBRXRGKDM4ETDP1
SCHEMBL25826329 0.77 KDM4E (0.44) KDM4ETDP1HPGDALDH1A1GLA

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
US-20230232711-A1 Organic Electronic Device Comprising a Compound of Formula (I), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (I) for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-20 US disclosed