SCHEMBL30104701

SCHEMBL30104701

CC(C(N)=O)=C(c1ccc(F)cc1)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.46
▸ CYP2C19 P33261 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ GHSR Q92847 1/20 0.43
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41

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 0.78 AR (0.53) ARPGRRXRARXRBRXRG
SCHEMBL30104699 0.76 AR (0.48) ARPGRRXRARXRBRXRG
SCHEMBL16952198 0.75 AR (0.56) ARPGR
SCHEMBL16961614 0.73 AR (0.54) ARPGRRXRARXRBRXRG
SCHEMBL17843509 0.73 RXRA (0.55) ARPGRRXRARXRBRXRG
SCHEMBL23877161 0.72 AR (0.53) ARPGRRXRARXRBRXRG
SCHEMBL2473339 0.72 NOTUM (0.57) ARPGRRXRARXRBRXRG
SCHEMBL221383 0.71 AR (0.62) ARPGR
SCHEMBL30104645 0.71 AR (0.55) ARCYP2C19ABCB11ALBPGR
SCHEMBL26364970 0.71 AR (0.55) ARCYP2C19ABCB11ALBPGR

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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