SCHEMBL5734563

SCHEMBL5734563

O=CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.69
TSHR P16473 2/20 0.69
PKM P14618 10/20 0.68
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
PKLR P30613 1/20 0.63
HTT P42858 1/20 0.63
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL18134604 0.90 MCOLN3 (0.83) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL3169939 0.83 MCOLN3 (0.97) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL15014129 0.83 PKM (0.89) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL30821997 0.82 MCOLN3 (1.00) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL3814970 0.82 MCOLN3 (1.00) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL932255 0.80 MCOLN3 (0.59) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL13151736 0.80 PKM (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL13632352 0.80 POLB (0.65) MCOLN3PKMLMNASMN1; SMN2L3MBTL1
SCHEMBL12655865 0.79 MCOLN3 (0.71) MCOLN3TSHRPKMMEN1KMT2A
SCHEMBL20021982 0.79 PKM (0.89) MCOLN3TSHRPKMMEN1KMT2A

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 5 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
CN-1272107-A Benzamidine derivatives as factor Xa inhibitors MERCK PATENT GMBH (DE) 2000-11-01 CN 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