SCHEMBL12095656

SCHEMBL12095656

CC(C)(C(=O)Nc1nc(-c2ccccc2)co1)S(=O)(=O)c1ccccc1.CC(C)(C)c1cc(NC(=O)O)no1.O=S(=O)(c1ccc(Cl)cc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.56
CNR1 P21554 9/20 0.56
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL12095761 0.81 CNR2 (0.61) CNR2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL1463796 0.81 CNR2 (0.52) CNR2CNR1HSD11B1
SCHEMBL12095569 0.78 CNR2 (0.59) CNR2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL1465040 0.77 HSD11B1 (0.55) CNR2CNR1HSD11B1
SCHEMBL3963986 0.75 CNR2 (0.43) CNR2CNR1ALDH1A1MAPTHSD11B1
SCHEMBL469406 0.75 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C9CYP2C19
SCHEMBL3966458 0.74 CNR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL3967901 0.73 FFAR2 (0.49) CNR2CNR1HSD11B1
SCHEMBL3962734 0.73 CNR2 (0.91) CNR2CNR1SMN1; SMN2MAPTHTT
SCHEMBL1463526 0.73 CNR2 (0.75) CNR2CNR1ALDH1A1LMNASMN1; SMN2

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-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed