SCHEMBL5733928

SCHEMBL5733928

Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
SCN9A Q15858 2/20 0.45
OXTR P30559 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
LMNA P02545 1/20 0.41
SPR P35270 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40

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
SCHEMBL5734393 0.89 CNR1 (0.50) CNR1OXTRL3MBTL1GAAATM
SCHEMBL5735531 0.87 MAPT (0.53) CNR1OXTRL3MBTL1MAPTATM
SCHEMBL5735877 0.87 MAPT (0.53) CNR1OXTRMAPTATMTHRA
SCHEMBL5735728 0.87 GAA (0.53) CNR1OXTRL3MBTL1GAAATM
SCHEMBL5735192 0.87 CNR1 (0.50) CNR1SCN9AOXTRL3MBTL1GAA
SCHEMBL5735064 0.86 LSS (0.54) CNR1OXTRL3MBTL1GAAMAPT
SCHEMBL5737127 0.85 RAB9A (0.52) CNR1OXTRATMTHRATHRB
SCHEMBL5736717 0.85 CNR1 (0.46) CNR1OXTRL3MBTL1GAAMAPT
SCHEMBL5737295 0.85 ALDH1A1 (0.46) CNR1OXTRL3MBTL1GAAMAPT
SCHEMBL5735782 0.85 ALDH1A1 (0.46) CNR1OXTRL3MBTL1GAAMAPT

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-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed