SCHEMBL18952966

SCHEMBL18952966

CCCc1cc(Oc2ccc(N3C(=O)N[C@](C)(CC)C3=O)cn2)ccc1C#N

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.36
MMP13 P45452 2/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15536747 0.91 AR (0.45) ARMMP13
SCHEMBL18610521 0.86 AR (0.42) AR
SCHEMBL1980366 0.86 AR (0.36) ARMMP13MEN1ALDH1A1MAPT
SCHEMBL1984305 0.85 SLC22A12 (0.37) ARMMP13
SCHEMBL30939605 0.85 SLC22A12 (0.37) ARMMP13
SCHEMBL1981488 0.84 AR (0.36) ARMMP13
SCHEMBL1979251 0.84 AR (0.35) ARMMP13
SCHEMBL1979586 0.84 AR (0.47) ARMMP13
SCHEMBL1978686 0.83 AR (0.40) ARMMP13
SCHEMBL19749959 0.79 AR (0.35) 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 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