SCHEMBL15535817

SCHEMBL15535817

CC1(C)C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)c(OC(F)(F)F)c2)nc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.41
AR P10275 3/20 0.39
SLC22A12 Q96S37 3/20 0.35
BCAT2 O15382 2/20 0.34
BCAT1 P54687 2/20 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
SCHEMBL1979006 0.89 AR (0.52) MMP13AR
SCHEMBL18952992 0.86 MMP13 (0.39) MMP13AR
SCHEMBL18952942 0.83 GPR119 (0.40) MMP13
SCHEMBL18952955 0.83 MMP13 (0.42) MMP13ARSLC22A12
SCHEMBL18952979 0.82 MMP13 (0.41) MMP13AR
SCHEMBL15536746 0.82 MMP13 (0.41) MMP13ARSLC22A12
SCHEMBL18952954 0.81 MMP13 (0.42) MMP13ARSLC22A12
SCHEMBL1978686 0.81 AR (0.40) MMP13AR
SCHEMBL15536428 0.79 CHRM2 (0.34) ARSLC22A12BCAT2BCAT1
SCHEMBL19670217 0.78 AR (0.35) ARBCAT2BCAT1

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 4 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
EP-2852588-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2015-04-01 EP disclosed
WO-2013175211-A1 HYDANTOIN DERIVATIVES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2013-11-28 WO disclosed