SCHEMBL3962881

SCHEMBL3962881

Cc1nc(C(N)=O)sc1C(C)(C)C.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.38
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL3962907 0.88 MAPT (0.37) MAPTALDH1A1LMNAGAAMEN1
SCHEMBL4078069 0.88 MAPT (0.41) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3963604 0.82 MAPT (0.43) MAPTALDH1A1HTTLMNAATM
SCHEMBL3961452 0.82 MMP2 (0.45)
SCHEMBL1464501 0.78 MAPT (0.56) MAPTALDH1A1HTTLMNAGAA
SCHEMBL3962562 0.78 ALDH1A1 (0.39) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL1463571 0.74 MAPT (0.52) MAPTALDH1A1HTTLMNAGAA
SCHEMBL351726 0.74 EEF2K (0.58) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3959595 0.73 CNR1 (0.47) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3968969 0.73 ATM (0.41) MAPTALDH1A1HTTLMNASMN1; 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 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