SCHEMBL5735523

SCHEMBL5735523

C=Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(NC(C)=N)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.57
F13A1 P00488 3/20 0.57
TGM1 P22735 3/20 0.57
CNR1 P21554 1/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5735526 1.00 TGM2 (0.57) TGM2F13A1TGM1CNR1PKM
SCHEMBL5733714 0.84 TGM2 (0.53) TGM2F13A1TGM1CNR1PKM
SCHEMBL5733716 0.84 TGM2 (0.53) TGM2F13A1TGM1CNR1PKM
Hydrochloric Acid SCHEMBL5735057 0.81 F13A1 (0.60) TGM2F13A1TGM1CNR1PKM
Hydrochloric Acid SCHEMBL5735062 0.81 F13A1 (0.60) TGM2F13A1TGM1CNR1PKM
SCHEMBL5733835 0.79 F10 (0.61) CNR1PKMNPSR1MEN1KMT2A
SCHEMBL5733836 0.79 F10 (0.61) CNR1PKMNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5733822 0.79 F10 (0.60) CNR1PKMNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5733826 0.79 F10 (0.60) CNR1PKMNPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5736586 0.79 F10 (0.60) CNR1PKMNPSR1MEN1KMT2A

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