SCHEMBL8939682

SCHEMBL8939682

CCC1(CC)C(=N)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.61
HDAC1 Q13547 2/20 0.46

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
SCHEMBL7756025 0.90 AR (0.60) ARHDAC1
SCHEMBL8939551 0.87 AR (0.74) ARHDAC1
SCHEMBL4023040 0.85 AR (0.75) ARHDAC1
SCHEMBL8939587 0.84 AR (0.64) ARHDAC1
SCHEMBL8939586 0.81 AR (0.60) AR
SCHEMBL4025434 0.81 AR (0.60) ARHDAC1
SCHEMBL7759190 0.80 AR (0.74) ARHDAC1
SCHEMBL4025731 0.80 AR (0.58) ARHDAC1
SCHEMBL7760593 0.79 AR (0.72) ARHDAC1
SCHEMBL4031610 0.79 AR (0.80) ARHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589497-A ANTIANDROGENS Uclaf, Roussel (FR) 1996-12-31 US disclosed
US-5556983-A ANTIANDROGENS ROUSSEL UCLAF (FR) 1996-09-17 US disclosed
US-5434176-A Antiandrogens ROUSSEL UCLAF (FR) 1995-07-18 US disclosed