SCHEMBL5729062

SCHEMBL5729062

COC(=O)CC1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC(=O)N1N

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.41
F2 P00734 2/20 0.40

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
SCHEMBL5729152 0.84 RORC (0.41) F10F2
SCHEMBL5729173 0.80 NPC1 (0.37)
SCHEMBL7861981 0.79 GLRA3 (0.43) F10F2
SCHEMBL6730466 0.79 GLRA3 (0.43) F10F2
SCHEMBL6730840 0.79 GLRA3 (0.43) F10F2
SCHEMBL6730844 0.79 GLRA3 (0.43) F10F2
SCHEMBL6730470 0.79 GLRA3 (0.43) F10F2
SCHEMBL5729315 0.78 F10 (0.53) F10
Hydrochloric Acid SCHEMBL5735451 0.78 F10 (0.44) F10F2
Hydrochloric Acid SCHEMBL5735458 0.78 F10 (0.44) F10F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed