SCHEMBL5735877

SCHEMBL5735877

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
LSS P48449 3/20 0.48
CNR1 P21554 1/20 0.48
LMNA P02545 3/20 0.46
OXTR P30559 1/20 0.46
ATM Q13315 1/20 0.45
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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) CNR1LMNAOXTRATMCDC7
SCHEMBL5737000 0.92 ATM (0.53) MAPTPOLBCNR1LMNAATM
SCHEMBL5735531 0.90 MAPT (0.53) MAPTPOLBLSSCNR1LMNA
SCHEMBL5735728 0.90 GAA (0.53) CNR1LMNAOXTRATMCDC7
SCHEMBL5735192 0.89 CNR1 (0.50) CNR1LMNAOXTRATMCDC7
SCHEMBL5735064 0.88 LSS (0.54) MAPTPOLBLSSCNR1LMNA
SCHEMBL5737127 0.87 RAB9A (0.52) POLBCNR1OXTRATMALDH1A1
SCHEMBL5733928 0.87 CNR1 (0.46) MAPTCNR1LMNAOXTRATM
SCHEMBL5736717 0.87 CNR1 (0.46) MAPTPOLBCNR1LMNAOXTR
SCHEMBL5738054 0.87 GLA (0.48) CNR1LMNAOXTRATMCDC7

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