SCHEMBL5729372

SCHEMBL5729372

Cc1c(S(=O)(=O)N2CCN(NC3CCN(c4ccncc4)CC3)C(=O)C2)sc2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.44
F10 P00742 3/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
DRD2 P14416 2/20 0.40
KEAP1 Q14145 1/20 0.39
HTR1A P08908 3/20 0.39
HTR1D P28221 3/20 0.39
HTR1B P28222 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL5729234 0.81 F10 (0.57) F10F2
SCHEMBL6797988 0.80 TP53 (0.48) F10
SCHEMBL5729098 0.79 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729796 0.78 F10 (0.61) F10
SCHEMBL5729432 0.77 F10 (0.41) F10F2PLGPLATPRSS1
SCHEMBL5729928 0.77 F10 (0.53) F10F2
SCHEMBL5729403 0.76 F10 (0.43) F10AKR1B1
SCHEMBL6079729 0.76 F10 (0.42) HTR6F10F2PLGPLAT
SCHEMBL5729725 0.76 F10 (0.40) F10
SCHEMBL5729011 0.75 F10 (0.39) 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