SCHEMBL18952995

SCHEMBL18952995

CC1(C)C(=O)NC(=O)N1c1ccc(Oc2ccc(C#N)cc2C2CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
MMP13 P45452 6/20 0.36
AR P10275 4/20 0.35
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
CYP11B2 P19099 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
SCN9A Q15858 1/20 0.33
ROCK2 O75116 1/20 0.33
EZH2 Q15910 1/20 0.33
ELANE P08246 1/20 0.32
PTH1R Q03431 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL18952943 0.90 PTGDR2 (0.37) PTGDR2MMP13ARHSD11B1HSD11B2
SCHEMBL30939574 0.89 AR (0.41) PTGDR2ARHSD11B1HSD11B2CYP11B2
SCHEMBL1979977 0.89 AR (0.41) PTGDR2ARHSD11B1HSD11B2CYP11B2
SCHEMBL18952947 0.83 MMP13 (0.35) MMP13ARHSD11B1HSD11B2ROCK2
SCHEMBL18952970 0.82 AR (0.36) MMP13ARHSD11B1HSD11B2
SCHEMBL18952954 0.82 MMP13 (0.42) MMP13AR
SCHEMBL18953024 0.82 AR (0.45) MMP13ARSCN9AELANE
SCHEMBL30939616 0.80 HSD11B1 (0.38) PTGDR2ARHSD11B1HSD11B2CYP11B2
SCHEMBL1979096 0.80 HSD11B1 (0.38) PTGDR2ARHSD11B1HSD11B2CYP11B2
SCHEMBL25053757 0.80 PTGDR2 (0.39) PTGDR2ARHSD11B1CYP11B2EGLN1

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