SCHEMBL25826331

SCHEMBL25826331

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 3/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32
PYCR1 P32322 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PTPRC P08575 1/20 0.30
PTPN1 P18031 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
SCHEMBL25826340 0.89 RXRA (0.37) RXRARXRBRXRGKDM4ETDP1
SCHEMBL19965605 0.83 KDM4E (0.39) KDM4ETDP1CYP11B1CYP11B2
SCHEMBL24147884 0.81 RXRA (0.35) RXRARXRBRXRGKIF11KDM4E
SCHEMBL25826338 0.80 RXRA (0.33) RXRARXRBRXRGKIF11KDM4E
SCHEMBL25985314 0.80 RXRA (0.38) RXRARXRBRXRGKIF11KDM4E
SCHEMBL24147888 0.79 KDM4E (0.38) RXRARXRBRXRGKIF11KDM4E
SCHEMBL24369891 0.76 KDM4E (0.33) KDM4ETDP1CYP11B1CYP11B2
SCHEMBL24147891 0.76 RXRA (0.38) RXRARXRBRXRGKIF11KDM4E
SCHEMBL24147282 0.76 DAO (0.39) RXRARXRBRXRGKIF11KDM4E
SCHEMBL624789 0.75 KIF11 (0.49) RXRARXRBRXRGKIF11CYP11B1

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