SCHEMBL25908872

SCHEMBL25908872

Cc1cc(C)c(CC#N)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.40
RAPGEF4 Q8WZA2 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL25826316 0.93 AR (0.40) ARTHRBALDH1A1GLAGAA
SCHEMBL18856726 0.83 GLA (0.35) ARMAPTALDH1A1GLAGAA
SCHEMBL1022724 0.80 ATM (0.38) RAPGEF4THRBALDH1A1GAAHPGD
SCHEMBL25856448 0.77 AR (0.35) ARALDH1A1GLAGAAHPGD
SCHEMBL18856632 0.77 AR (0.31) AR
SCHEMBL24146619 0.75 AR (0.38) ARGAARXRARXRBRXRG
SCHEMBL26312439 0.74 AR (0.36) ARALDH1A1GLAGAAHPGD
SCHEMBL24146621 0.73 TRPV4 (0.42) ARALDH1A1GLAGAAHPGD
SCHEMBL24831630 0.72 AR (0.34) ARALDH1A1GLAGAAHPGD
SCHEMBL25613913 0.72 KDM4E (0.50) ARMAPTXBP1HTTALDH1A1

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-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