SCHEMBL3962999

SCHEMBL3962999

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)n1.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.51
CNR1 P21554 6/20 0.51
KDM1A O60341 1/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3966620 0.99 CNR2 (0.52) CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL3964901 0.93 CNR2 (0.52) CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL3963536 0.91 CNR2 (0.44) CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL1463827 0.78 CNR2 (0.51) CNR2CNR1KDM1AMAPTKDM4E
SCHEMBL1463528 0.77 CNR2 (0.78) CNR2CNR1MAPTNPSR1ALDH1A1
SCHEMBL3963505 0.77 CNR2 (0.51) CNR2CNR1MAPTALDH1A1LMNA
SCHEMBL3961281 0.76 CNR2 (0.59) CNR2CNR1MAPTKDM4ENPSR1
SCHEMBL3959616 0.75 CNR2 (0.41) CNR2CNR1KDM1A
SCHEMBL3964793 0.75 CNR2 (0.48) CNR2CNR1MAPTKDM4ENPSR1
SCHEMBL3959680 0.74 CNR2 (0.38) CNR2CNR1MAPT

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-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