SCHEMBL10147796

SCHEMBL10147796

Cn1nc(C(C)(C)C)cc1-c1ncc(C(C)(C)Sc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CNR2 P34972 1/20 0.35
PRKCZ Q05513 1/20 0.34
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL10147538 0.82 MAPK14 (0.40) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10147583 0.81 SCN10A (0.39) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL351577 0.80 CNR2 (0.49) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10146096 0.79 KDM4E (0.39) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10147508 0.76 MAPT (0.37) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL13618719 0.75 KDM4E (0.36)
SCHEMBL10147542 0.73 MAPK13 (0.37) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10147503 0.72 MAPT (0.37) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10147546 0.72 MAPT (0.37) MAPTMAPK14MAPK13MAPK12MAPK11
SCHEMBL10147820 0.67 KDM1A (0.36)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 EP disclosed