SCHEMBL26312440

SCHEMBL26312440

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
KIF11 P52732 1/20 0.32
PDK2 Q15119 1/20 0.31
CTSK P43235 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL24146621 0.84 TRPV4 (0.42) ARRXRARXRBRXRGTRPV4
SCHEMBL24146619 0.78 AR (0.38) ARRXRARXRBRXRGKIF11
SCHEMBL24146620 0.77 AR (0.37) ARRXRARXRBRXRGTRPV4
SCHEMBL24146624 0.77 KIF11 (0.42) ARRXRARXRBRXRGTRPV4
SCHEMBL25826316 0.76 AR (0.40) ARRXRARXRBRXRGALDH1A1
SCHEMBL952788 0.75 AR (0.41) ARRXRARXRBRXRGPDK2
SCHEMBL26312439 0.73 AR (0.36) ARRXRARXRBRXRGTRPV4
SCHEMBL24146611 0.73 RXRA (0.33) ARRXRARXRBRXRGKIF11
SCHEMBL24147004 0.72 RXRA (0.35) ARRXRARXRBRXRGKIF11
SCHEMBL26312438 0.72 PYCR1 (0.38) ARRXRARXRBRXRGCTSK

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