SCHEMBL5729524

SCHEMBL5729524

CC(C)(C)OC(=O)N1CCCCC1NN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.43
ALDH1A1 P00352 1/20 0.40
STS P08842 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL5728783 0.88 APP (0.44) F10ALDH1A1STS
SCHEMBL5728996 0.86 STS (0.48) F10STS
SCHEMBL7482548 0.84 F10 (0.39) F10ALDH1A1STSF2
SCHEMBL5728780 0.83 F10 (0.39) F10ALDH1A1STSF2
SCHEMBL5729645 0.82 F10 (0.44) F10F2
SCHEMBL5728864 0.81 STS (0.47) F10ALDH1A1STS
SCHEMBL5729803 0.79 F10 (0.37) F10ALDH1A1
SCHEMBL7053181 0.78 STS (0.48) F10ALDH1A1STS
SCHEMBL6887446 0.77 GPR119 (0.47) F10STS
SCHEMBL6895114 0.76 STS (0.46) F10ALDH1A1STS

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