SCHEMBL1253145

SCHEMBL1253145

CC(Cc1ncc(-c2cc(C(C)(C)C)nn2C)[nH]1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
CNR2 P34972 2/20 0.40
MAPT P10636 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
LMNA P02545 2/20 0.32
PRKCZ Q05513 1/20 0.31
RET P07949 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 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
SCHEMBL1253112 0.79 CNR2 (0.39) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL350333 0.77 CNR2 (0.47) SCN10ACNR2MAPTMAPK13MAPK12
SCHEMBL1250768 0.75 CNR2 (0.39) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL351577 0.70 CNR2 (0.49) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL10147583 0.70 SCN10A (0.39) SCN10ACNR2MAPTMAPK13MAPK12
SCHEMBL18415303 0.69 KDM5B (0.36) MAPTLMNACNR1
SCHEMBL18407334 0.68 KDM4E (0.38) SCN10ACNR2MAPTMAPK13MAPK12
SCHEMBL1250781 0.67 CNR2 (0.39) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL1250777 0.67 ALDH1A1 (0.34) CNR2MAPK14ALDH1A1
SCHEMBL351120 0.65 CNR2 (0.51) CNR2MAPTMAPK13MAPK12MAPK11

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-2283001-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-02-16 EP claimed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO claimed