SCHEMBL5736178

SCHEMBL5736178

Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.64
ATM Q13315 1/20 0.60
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55

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
Hydrochloric Acid SCHEMBL6197875 0.96 F10 (0.60) F10ATMCA12CA1CA2
SCHEMBL6737341 0.89 F10 (0.77) F10ATM
SCHEMBL6299410 0.88 F10 (0.64) F10ATM
Hydrochloric Acid SCHEMBL5733561 0.88 F10 (0.75) F10ATM
Hydrochloric Acid SCHEMBL6201477 0.87 F10 (0.58) F10ATM
Hydrochloric Acid SCHEMBL5736558 0.87 F10 (0.60) F10ATMCA12CA1CA2
Hydrochloric Acid SCHEMBL5735796 0.87 F10 (0.60) F10ATM
SCHEMBL5734349 0.86 F10 (0.62) F10ATM
SCHEMBL5736610 0.85 F10 (0.56) F10ATM
Acetic Acid SCHEMBL27550413 0.85 F10 (0.71) F10ATM

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