SCHEMBL5734856

SCHEMBL5734856

CC(C)N(Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(N)ccc4c3)CC2)cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.52
ATM Q13315 1/20 0.52
PKM P14618 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5734767 0.90 ATM (0.65) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5735347 0.89 F10 (0.53) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5734062 0.88 F10 (0.61) F10ATM
SCHEMBL5733992 0.88 F10 (0.68) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5734514 0.87 KDM4E (0.56) F10ATMPKMSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5735806 0.87 F10 (0.60) F10ATM
SCHEMBL5735084 0.86 ATM (0.52) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5734041 0.86 PKM (0.55) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5734515 0.85 F10 (0.58) F10ATMPKMSMN1; SMN2ALDH1A1
SCHEMBL5735319 0.82 LMNA (0.65) PKMSMN1; SMN2ALDH1A1LMNAGAA

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