SCHEMBL5733574

SCHEMBL5733574

N=C(N)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.61
CNR1 P21554 7/20 0.59
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 3/20 0.48
PKM P14618 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 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
SCHEMBL5733580 1.00 F10 (0.61) F10CNR1NPSR1LMNAPKM
SCHEMBL5735108 1.00 F10 (0.61) F10CNR1NPSR1LMNAPKM
Hydrochloric Acid SCHEMBL7662017 0.99 F10 (0.60) F10CNR1NPSR1LMNAPKM
Hydrochloric Acid SCHEMBL5736000 0.99 F10 (0.60) F10CNR1NPSR1LMNAPKM
Hydrochloric Acid SCHEMBL5734324 0.99 F10 (0.60) F10CNR1NPSR1LMNAPKM
SCHEMBL5733836 0.90 F10 (0.61) F10CNR1NPSR1LMNAPKM
SCHEMBL5735191 0.90 F10 (0.61) F10CNR1NPSR1LMNAPKM
SCHEMBL5735198 0.90 F10 (0.61) F10CNR1NPSR1LMNAPKM
SCHEMBL5733835 0.90 F10 (0.61) F10CNR1NPSR1LMNAPKM
Hydrochloric Acid SCHEMBL5733826 0.90 F10 (0.60) F10CNR1NPSR1LMNAPKM

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 8 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 claimed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US claimed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP claimed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO claimed
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