SCHEMBL5733709

SCHEMBL5733709

CC(C)N(CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
PKM P14618 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 3/20 0.59
LMNA P02545 3/20 0.59
HTT P42858 2/20 0.57
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
F10 P00742 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL5734882 0.90 F10 (0.57) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734451 0.90 F10 (0.66) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734767 0.90 ATM (0.65) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734553 0.84 ATM (0.67) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5735647 0.83 ATM (0.61) ATMPKMSMN1; SMN2ALDH1A1GAA
Hydrochloric Acid SCHEMBL5736359 0.83 ATM (0.66) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734844 0.82 ATM (0.60) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734975 0.82 ATM (0.71) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734403 0.82 ATM (0.65) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734594 0.82 ATM (0.65) ATMPKMSMN1; SMN2ALDH1A1GAA

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