SCHEMBL5729432

SCHEMBL5729432

O=C1CN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)CCN1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.41
MAPT P10636 1/20 0.38
F2 P00734 5/20 0.37
PLG P00747 3/20 0.36
PROC P04070 2/20 0.36
PRSS1 P07477 2/20 0.36
PLAT P00750 1/20 0.35

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
SCHEMBL5729928 0.86 F10 (0.53) F10F2
SCHEMBL5729234 0.85 F10 (0.57) F10F2
SCHEMBL5729372 0.77 HTR6 (0.44) F10F2PLGPRSS1PLAT
SCHEMBL6797988 0.77 TP53 (0.48) F10
SCHEMBL5729098 0.76 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729796 0.76 F10 (0.61) F10
SCHEMBL5729403 0.73 F10 (0.43) F10
SCHEMBL5730605 0.73 LSS (0.58) F10MAPT
SCHEMBL5729725 0.73 F10 (0.40) F10
SCHEMBL5729012 0.73 F10 (0.48) F10

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