SCHEMBL3965100

SCHEMBL3965100

CC(C)(C)c1cc(N)no1.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.46
CNR1 P21554 4/20 0.46
MAPT P10636 5/20 0.42
ATM Q13315 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 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
SCHEMBL3965097 0.89 CNR2 (0.45) CNR2CNR1MAPTATMALDH1A1
SCHEMBL3959595 0.84 CNR1 (0.47) CNR2CNR1MAPTATMALDH1A1
SCHEMBL1464300 0.81 CNR2 (0.61) CNR2CNR1MAPTATMLMNA
SCHEMBL3964990 0.80 MMP2 (0.48) CNR2CNR1MAPTCYP2C8CYP2C9
SCHEMBL1463591 0.78 EEF2K (0.55) MAPTATMALDH1A1LMNACYP2C19
SCHEMBL4017185 0.77 CNR2 (0.36) CNR2CNR1MAPTLMNA
SCHEMBL1464580 0.76 CNR2 (0.64) CNR2CNR1MAPTATMALDH1A1
SCHEMBL219728 0.75 EEF2K (0.55) MAPTATMALDH1A1LMNACYP2C19
SCHEMBL3969923 0.75 ALDH1A1 (0.40) MAPTATMALDH1A1LMNACYP2C19
SCHEMBL16238871 0.73 ALDH1A1 (0.51) CNR2CNR1ALDH1A1CYP2C8CYP2C9

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