SCHEMBL19749959

SCHEMBL19749959

C=C(C)c1cc(Oc2ccc(N3C(=O)N[C@](C)(CCC)C3=O)cn2)ccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.35
MMP13 P45452 1/20 0.32

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
SCHEMBL1981488 0.93 AR (0.36) ARMMP13
SCHEMBL18952966 0.79 AR (0.36) ARMMP13
SCHEMBL1980366 0.78 AR (0.36) ARMMP13
SCHEMBL18610521 0.78 AR (0.42) AR
SCHEMBL30939605 0.77 SLC22A12 (0.37) ARMMP13
SCHEMBL1984305 0.77 SLC22A12 (0.37) ARMMP13
SCHEMBL1979251 0.76 AR (0.35) ARMMP13
SCHEMBL1979586 0.76 AR (0.47) ARMMP13
SCHEMBL1978686 0.76 AR (0.40) ARMMP13
SCHEMBL15536747 0.76 AR (0.45) ARMMP13

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
US-9849131-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed