SCHEMBL30104699

SCHEMBL30104699

C=C(C(N)=O)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 15/20 0.48
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ PGR P06401 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.42

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
SCHEMBL2637596 0.84 AR (0.53) ARRXRARXRBRXRGPGR
SCHEMBL17843509 0.80 RXRA (0.55) ARRXRARXRBRXRGPGR
SCHEMBL20515447 0.80 AR (0.54) ARRXRARXRBRXRGPGR
SCHEMBL23877161 0.78 AR (0.53) ARRXRARXRBRXRGPGR
SCHEMBL30104701 0.76 AR (0.46) ARRXRARXRBRXRGPGR
SCHEMBL16959881 0.76 AR (0.57) ARPGR
SCHEMBL2473339 0.75 NOTUM (0.57) ARRXRARXRBRXRGPGR
SCHEMBL16952198 0.74 AR (0.56) ARPGR
SCHEMBL16961614 0.73 AR (0.54) ARRXRARXRBRXRGPGR
SCHEMBL24152829 0.72 AR (0.53) ARRXRARXRBRXRGPGR

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
EP-4110322-A1 SELECTIVE ANDROGEN RECEPTOR COVALENT ANTAGONISTS (SARCAS) AND METHODS OF USE THEREOF University of Tennessee Research Foundation (US) 2023-01-04 — — EP disclosed
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