SCHEMBL5729645

SCHEMBL5729645

CC(C)(C)OC(=O)NN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.44
F2 P00734 2/20 0.42
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5730186 0.84 F10 (0.47) F10F2
SCHEMBL5728864 0.83 STS (0.47) F10SMN1; SMN2
SCHEMBL5728996 0.83 STS (0.48) F10
SCHEMBL5729524 0.82 F10 (0.43) F10F2
SCHEMBL6895069 0.81 F10 (0.44) F10SMN1; SMN2
SCHEMBL7055121 0.79 DRD2 (0.44) F10POLBSMN1; SMN2
SCHEMBL6887955 0.79 DRD2 (0.44) F10POLBSMN1; SMN2
SCHEMBL5728783 0.79 APP (0.44) F10
SCHEMBL5729520 0.78 F10 (0.44) F10F2
SCHEMBL5729219 0.78 TGM2 (0.46)

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