SCHEMBL28285016

SCHEMBL28285016

N#COc1cccc(C#N)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.40
PGR P06401 2/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL31023997 0.82 AR (0.54) ARPGRPOLBGAA
SCHEMBL25983090 0.80 AR (0.46) ARPGR
SCHEMBL28569048 0.78 POLB (0.49) ARPOLBGAA
SCHEMBL22342513 0.74 AR (0.54) ARPOLBGAA
SCHEMBL5514386 0.74 AR (0.38) ARPGR
SCHEMBL5509413 0.74 HTR1A (0.42) ARPGR
SCHEMBL27960917 0.74 GAA (0.50) ARPOLBGAA
SCHEMBL4604160 0.73 FNTA (0.43) AR
SCHEMBL1994873 0.73 AR (0.41) ARPGR
SCHEMBL29378798 0.73 AR (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422737-A Imidazolone androgen receptor antagonists, preparation method and use 上海时莱生物技术有限公司 2019-03-05 CN disclosed