SCHEMBL4012322

SCHEMBL4012322

Cc1nc(NC(=O)C(C)(C)S(=O)(=O)C(C)C)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)C2CCCCC2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PI4KB Q9UBF8 2/20 0.31
KMT2A Q03164 1/20 0.31
XIAP P98170 1/20 0.31
ITGB1 P05556 2/20 0.31
ITGA4 P13612 2/20 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
SCHEMBL4017230 0.88 CNR2 (0.35) LMNANPC1SMN1; SMN2GAA
SCHEMBL4018062 0.83 CNR2 (0.33) GAA
SCHEMBL1620953 0.81 KMT2A (0.46) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1621078 0.68 CNR2 (0.49) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1621933 0.67 KMT2A (0.49) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1621935 0.67 KMT2A (0.43) LMNANPC1RAB9AALDH1A1GAA
SCHEMBL3963148 0.66 CNR2 (0.44) LMNAALDH1A1GAA
SCHEMBL1621823 0.66 ITGB1 (0.43) LMNASMN1; SMN2ITGB1ITGA4
SCHEMBL3654247 0.66 KMT2A (0.42) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1464185 0.65 LMNA (0.54) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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