SCHEMBL4069812

SCHEMBL4069812

CC(C)(C)c1nnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)s1.CCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
ALDH1A1 P00352 3/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 3/20 0.36
PKM P14618 1/20 0.36
PAX8 Q06710 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL1464745 0.89 PKM (0.43) CNR2CNR1PIK3C3MAPK14PKM
SCHEMBL1465181 0.87 MEN1 (0.53) MEN1KMT2ARAB9ANPC1CNR2
SCHEMBL4073305 0.85 MAPT (0.35) MEN1KMT2ARAB9ANPC1CNR2
SCHEMBL4070531 0.78 CNR2 (0.38) MEN1KMT2ARAB9ANPC1CNR2
SCHEMBL1464469 0.77 ALDH1A1 (0.46) MEN1KMT2ARAB9ANPC1CNR2
SCHEMBL1464740 0.75 CNR2 (0.58) CNR2CNR1PIK3C3PKMRORC
SCHEMBL1463731 0.75 AR (0.52) CNR2CNR1ALDH1A1PIK3C3RORC
SCHEMBL3960775 0.72 CNR2 (0.42) CNR2CNR1ALDH1A1MAPK14RORC
SCHEMBL1465641 0.72 CNR2 (0.66) MEN1KMT2ARAB9ANPC1CNR2
SCHEMBL1464642 0.69 CNR2 (0.54) CNR2CNR1PIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed