SCHEMBL5736717

SCHEMBL5736717

C=Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3sc(-c4ccncc4)nc3C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
OXTR P30559 1/20 0.44
ATM Q13315 1/20 0.43
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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) CNR1OXTRATMCDC7DBF4
SCHEMBL5735728 0.87 GAA (0.53) CNR1OXTRATMCDC7DBF4
SCHEMBL5735877 0.87 MAPT (0.53) CNR1OXTRATMTHRATHRB
SCHEMBL5735531 0.87 MAPT (0.53) CNR1OXTRATMPKMLMNA
SCHEMBL5735192 0.87 CNR1 (0.50) CNR1OXTRATMTHRATHRB
SCHEMBL5735064 0.86 LSS (0.54) CNR1OXTRTHRATHRBPKM
SCHEMBL5733928 0.85 CNR1 (0.46) CNR1OXTRATMTHRATHRB
SCHEMBL5737127 0.85 RAB9A (0.52) CNR1OXTRATMTHRATHRB
SCHEMBL8110923 0.84 KMT2A (0.43) CNR1OXTRTHRATHRBLMNA
SCHEMBL5738054 0.84 GLA (0.48) CNR1OXTRATMTHRATHRB

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