SCHEMBL5735728

SCHEMBL5735728

Cc1nc(-c2ccncc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.48
CNR1 P21554 1/20 0.48
PKM P14618 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OXTR P30559 1/20 0.46
PTGS2 P35354 1/20 0.45
ATM Q13315 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44

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 0.92 CNR1 (0.50) GAAL3MBTL1LMNACNR1PKM
SCHEMBL5735877 0.90 MAPT (0.53) LMNAALDH1A1CNR1PKMSMN1; SMN2
SCHEMBL5735531 0.90 MAPT (0.53) L3MBTL1LMNAALDH1A1CNR1PKM
SCHEMBL5735192 0.89 CNR1 (0.50) GAAL3MBTL1LMNAALDH1A1CNR1
SCHEMBL5735064 0.88 LSS (0.54) GAAL3MBTL1LMNAALDH1A1CNR1
SCHEMBL5737127 0.87 RAB9A (0.52) ALDH1A1CNR1PKMOXTRATM
SCHEMBL5736717 0.87 CNR1 (0.46) GAAL3MBTL1LMNAALDH1A1CNR1
SCHEMBL5733928 0.87 CNR1 (0.46) GAAL3MBTL1LMNACNR1PKM
SCHEMBL5734332 0.87 SCN9A (0.49) L3MBTL1LMNACNR1PKMOXTR
SCHEMBL5738054 0.87 GLA (0.48) LMNAALDH1A1CNR1PKMOXTR

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