SCHEMBL18952947

SCHEMBL18952947

CCc1cc(C#N)ccc1Oc1ccc(N2C(=O)NC(=O)C2(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.35
EGLN2 Q96KS0 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
AR P10275 2/20 0.33
OXTR P30559 2/20 0.33
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
ELANE P08246 1/20 0.32
ROCK2 O75116 2/20 0.32
AVPR1A P37288 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL1984809 0.88 AR (0.43) EGLN2TRPV4ARHSD11B1HSD11B2
SCHEMBL18952970 0.85 AR (0.36) MMP13TRPV4ARHSD11B1HSD11B2
SCHEMBL18953024 0.84 AR (0.45) MMP13ARELANE
SCHEMBL18952995 0.83 PTGDR2 (0.38) MMP13ARHSD11B1HSD11B2ELANE
SCHEMBL18952979 0.80 MMP13 (0.41) MMP13AR
SCHEMBL18952974 0.79 MMP13 (0.33) MMP13TRPV4ARHSD11B1HSD11B2
SCHEMBL18952943 0.78 PTGDR2 (0.37) MMP13TRPV4ARHSD11B1HSD11B2
SCHEMBL13720513 0.76 AR (0.44) EGLN2AROXTRHSD11B1HSD11B2
SCHEMBL1979175 0.73 AR (0.44) ARHSD11B1HSD11B2KDM4EALDH1A1
SCHEMBL18952976 0.73 HSD11B1 (0.34) EGLN2TRPV4ARHSD11B1HSD11B2

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