SCHEMBL18952993

SCHEMBL18952993

CCCOc1cc(Oc2ccc(N3C(=O)NC(C)(C)C3=O)cn2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.45
MMP13 P45452 1/20 0.35

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
SCHEMBL1982669 0.94 AR (0.46) ARMMP13
SCHEMBL13720509 0.90 AR (0.47) ARMMP13
SCHEMBL1979888 0.88 AR (0.43) ARMMP13
SCHEMBL30939577 0.88 AR (0.43) ARMMP13
SCHEMBL1979586 0.88 AR (0.47) ARMMP13
SCHEMBL15536747 0.87 AR (0.45) ARMMP13
SCHEMBL1979015 0.87 AR (0.45) ARMMP13
SCHEMBL1979006 0.86 AR (0.52) ARMMP13
SCHEMBL30939578 0.85 AR (0.48) AR
SCHEMBL1978289 0.85 AR (0.48) AR

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-3386506-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN Autifony Therapeutics Limited (GB) 2018-10-17 EP disclosed
WO-2017098254-A1 MODULATORS OF KV3 CHANNELS TO TREAT PAIN AUTIFONY THERAPEUTICS LIMITED (GB) 2017-06-15 WO disclosed