SCHEMBL3963813

SCHEMBL3963813

CC(C)(C(=O)Nc1nc(C2CCCCC2)cs1)S(=O)(=O)c1ccc(Cl)cc1.CCCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CNR2 P34972 12/20 0.43
CNR1 P21554 4/20 0.43
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
GCK P35557 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNQ1 P51787 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
SCHEMBL1464912 0.86 HTT (0.57) RORCHTTLMNAKDM4ECNR2
SCHEMBL1465876 0.83 CNR2 (0.59) CNR2CNR1
SCHEMBL12095681 0.83 RORC (0.44) RORCHTTLMNATMIGD3ADORA1
SCHEMBL4011997 0.82 CNR2 (0.53) RORCCNR2CNR1TMIGD3ADORA1
SCHEMBL1464790 0.82 TMIGD3 (0.61) RORCHTTLMNAKDM4ECNR2
SCHEMBL3961824 0.80 HTT (0.32) RORCHTTLMNAKDM4ECNR2
SCHEMBL1464045 0.78 TMIGD3 (0.56) RORCHTTLMNAKDM4ECNR2
SCHEMBL1464291 0.76 TMIGD3 (0.53) RORCHTTLMNAKDM4ETMIGD3
SCHEMBL1464626 0.75 TMIGD3 (0.50) RORCHTTLMNAKDM4ECNR2
SCHEMBL1464962 0.75 CNR2 (0.47) CNR2CNR1

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