SCHEMBL5734767

SCHEMBL5734767

CC(C)N(Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
PKM P14618 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
LMNA P02545 2/20 0.61
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 1/20 0.55
HTT P42858 2/20 0.54
F10 P00742 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL5735347 0.91 F10 (0.53) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734856 0.90 F10 (0.52) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734062 0.90 F10 (0.61) ATMF10
SCHEMBL5735084 0.90 ATM (0.52) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5733992 0.90 F10 (0.68) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5733709 0.90 ATM (0.62) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734844 0.90 ATM (0.60) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734594 0.90 ATM (0.65) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734553 0.90 ATM (0.67) ATMPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL5734041 0.89 PKM (0.55) 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 2 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