SCHEMBL18952958

SCHEMBL18952958

CC[C@H]1NC(=O)N(c2ccc(Oc3ccc(C#N)cc3CC(C)C)nc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
OXTR P30559 1/20 0.31
AVPR1A P37288 1/20 0.31
ELANE P08246 2/20 0.30
AR P10275 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL1978597 0.87 OXTR (0.36) ALDH1A1NPSR1OXTRAVPR1AELANE
SCHEMBL29437994 0.84 ELANE (0.33) NPSR1OXTRAVPR1AELANEHSD11B1
SCHEMBL1979583 0.84 ELANE (0.33) NPSR1OXTRAVPR1AELANEHSD11B1
SCHEMBL1978997 0.83 PTGDR2 (0.38) ELANEARKCNH2HRH3HSD11B1
SCHEMBL29438003 0.83 PTGDR2 (0.38) ELANEARKCNH2HRH3HSD11B1
SCHEMBL1981385 0.81 SLC6A4 (0.33) NPSR1HTR2ASLC6A4KCNH2
SCHEMBL30939565 0.81 SLC6A4 (0.33) NPSR1HTR2ASLC6A4KCNH2
SCHEMBL18952976 0.80 HSD11B1 (0.34) ELANEARSLC6A4KCNH2HSD11B1
SCHEMBL1980154 0.75 IRAK4 (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13828719 0.75 NPSR1 (0.36) KDM4EMEN1ALDH1A1GAAMAPT

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