SCHEMBL15536746

SCHEMBL15536746

CC(C)c1cc(Oc2ccc(N3C(=O)NC(=O)C3(C)C)cn2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.41
SLC22A12 Q96S37 1/20 0.35
AR P10275 3/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
KDM5A P29375 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL18952965 0.90 MMP13 (0.38) MMP13SLC22A12NPBWR1MCHR1KDM5A
SCHEMBL1982561 0.88 AR (0.47) MMP13SLC22A12AR
SCHEMBL18952992 0.86 MMP13 (0.39) MMP13AR
SCHEMBL12594113 0.86 AR (0.38) MMP13SLC22A12ARNPBWR1MCHR1
SCHEMBL18952955 0.86 MMP13 (0.42) MMP13SLC22A12AR
SCHEMBL18952979 0.85 MMP13 (0.41) MMP13AR
SCHEMBL18952954 0.83 MMP13 (0.42) MMP13SLC22A12ARHRH3
SCHEMBL15535817 0.82 MMP13 (0.41) MMP13SLC22A12AR
SCHEMBL18952942 0.80 GPR119 (0.40) MMP13HRH3
SCHEMBL1980366 0.79 AR (0.36) MMP13SLC22A12ARNPBWR1MCHR1

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-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