SCHEMBL25826312

SCHEMBL25826312

Cc1ccc(CC#N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
AR P10275 12/20 0.42
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SYK P43405 1/20 0.35
IDO1 P14902 1/20 0.34
POLQ O75417 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
HIF1A Q16665 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL5929043 0.80 RXRA (0.51) RXRARXRBRXRGARIDO1
SCHEMBL958307 0.80 IDO1 (0.54) RXRARXRBRXRGARIDO1
SCHEMBL16865612 0.79 SMN1; SMN2 (0.40) ARSMN1; SMN2SYKIDO1HIF1A
SCHEMBL24146520 0.79 RXRA (0.50) RXRARXRBRXRGAR
SCHEMBL13637429 0.79 RXRA (0.50) RXRARXRBRXRGARIDO1
SCHEMBL549178 0.79 RXRA (0.50) RXRARXRBRXRGARALDH1A1
SCHEMBL29507276 0.79 RXRA (0.50) RXRARXRBRXRGARIDO1
SCHEMBL195493 0.79 RXRA (0.50) RXRARXRBRXRGARIDO1
SCHEMBL14099906 0.77 SMN1; SMN2 (0.43) ARSMN1; SMN2SYKIDO1POLQ
SCHEMBL25826316 0.77 AR (0.40) RXRARXRBRXRGARALDH1A1

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