SCHEMBL16950996

SCHEMBL16950996

[CH2]c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 20/20 0.56
▸ PGR P06401 2/20 0.50

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
SCHEMBL3023346 0.84 AR (0.43) ARPGR
SCHEMBL1996075 0.78 AR (0.73) AR
SCHEMBL221383 0.78 AR (0.62) ARPGR
SCHEMBL1003776 0.78 AR (0.58) ARPGR
SCHEMBL16953011 0.77 AR (0.53) ARPGR
SCHEMBL409108 0.76 AR (0.74) ARPGR
SCHEMBL1128325 0.76 AR (0.74) ARPGR
SCHEMBL1226983 0.76 AR (0.56) ARPGR
SCHEMBL1643378 0.76 AR (0.56) ARPGR
SCHEMBL950544 0.76 AR (0.68) ARPGR

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
EP-3168214-B1 SUBSTITUTED 2-THIOXO-IMIDAZOLIDIN-4-ONES AND SPIRO ANALOGUES THEREOF, ACTIVE ANTI-CANCER INGREDIENT, PHARMACEUTICAL COMPOSITION, MEDICINAL PREPARATION, METHOD FOR TREATING PROSTATE CANCER R PHARM OVERSEAS INC (US) 2019-04-24 — — EP claimed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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