SCHEMBL9905617

SCHEMBL9905617

Cc1onc2cccc(Oc3ccc(NC(=O)C(C)(C)N)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAF1 P04049 4/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL9901491 0.84 PTGS2 (0.42) PTGS2MEN1KMT2ARAF1MAPK14
SCHEMBL9924093 0.83 KIT (0.45) PTGS2MEN1KMT2ARAF1S1PR4
SCHEMBL29438018 0.83 KIT (0.45) PTGS2MEN1KMT2ARAF1S1PR4
SCHEMBL1979542 0.77 GAA (0.59) MEN1KMT2AS1PR4S1PR1S1PR3
SCHEMBL9900752 0.76 ALDH1A1 (0.41) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL29437992 0.68 KIT (0.39) PTGS2MEN1KMT2ARAF1MAPK14
SCHEMBL9923785 0.68 KIT (0.39) PTGS2MEN1KMT2ARAF1MAPK14
SCHEMBL1980287 0.68 MTNR1B (0.68) RAF1MTNR1AMTNR1BPDK1PDK2
SCHEMBL17571139 0.68 GAA (0.57) MEN1KMT2AS1PR4S1PR1S1PR3
SCHEMBL8200423 0.68 L3MBTL1 (0.67) MEN1KMT2APDK1PDK2PDK3

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-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed