SCHEMBL25826351

SCHEMBL25826351

Cc1ncc(CC#N)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.35
KDM4E B2RXH2 5/20 0.33
GLA P06280 3/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PKM P14618 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LRRK2 Q5S007 2/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MBOAT4 Q96T53 2/20 0.31
GAA P10253 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
CASP1 P29466 1/20 0.31

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
SCHEMBL24147887 0.81 RXRA (0.34) ARRXRARXRBRXRGCYP11B1
SCHEMBL24149668 0.80 AR (0.43) ARRXRARXRBRXRGCYP11B1
SCHEMBL25899647 0.78 CYP11B1 (0.33) ARCYP11B1CYP11B2HTTMBOAT4
SCHEMBL24661479 0.77 KIF11 (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17785010 0.77 CYP11B1 (0.41) KDM4ECYP11B1CYP11B2
SCHEMBL25826340 0.77 RXRA (0.37) ARKDM4EGLARXRARXRB
SCHEMBL15483059 0.74 TRPV4 (0.39) ARKDM4EGLALRRK2ALDH1A1
SCHEMBL25826341 0.74 CYP11B1 (0.41) KDM4ECYP11B1CYP11B2
SCHEMBL29911963 0.74 CSNK2A1 (0.34) KDM4ECYP11B1CYP11B2HTT
SCHEMBL20214380 0.72 CTSS (0.41) ARRXRARXRBRXRGHTT

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