SCHEMBL4016982

SCHEMBL4016982

CC(C)(C(=O)Nc1nc(-c2ccccn2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccncc2)cs1)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
WNT3A P56704 1/20 0.48
L3MBTL1 Q9Y468 7/20 0.47
ALDH1A1 P00352 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
GCK P35557 1/20 0.47
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
NPY5R Q15761 2/20 0.46
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
NCOA1 Q15788 1/20 0.45
KDM4A O75164 3/20 0.45
KDM4B O94953 3/20 0.45
KDM5B Q9UGL1 3/20 0.45
KDM5C P41229 1/20 0.45
MITF O75030 1/20 0.45

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
SCHEMBL1619501 0.95 RAB9A (0.53) RAB9ALMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL4011038 0.93 LMNA (0.46) RAB9ALMNASMN1; SMN2NPC1L3MBTL1
SCHEMBL1619362 0.92 GCK (0.49) LMNASMN1; SMN2WNT3AALDH1A1GCK
SCHEMBL1621081 0.89 GCK (0.57) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL1621098 0.85 HTT (0.51) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL1621441 0.84 GCK (0.58) RAB9ALMNAALDH1A1GCKMAPT
SCHEMBL1619354 0.84 KMT2A (0.52) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL4011458 0.83 GCK (0.51) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL10217207 0.82 GCK (0.59) RAB9ALMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL4162523 0.81 GCK (0.50) RAB9ALMNASMN1; SMN2NPC1ALDH1A1

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed