SCHEMBL5728864

SCHEMBL5728864

CC(C)(C)OC(=O)N1CCC(CC(=O)NN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.47
GPR119 Q8TDV5 8/20 0.43
TGFBR1 P36897 1/20 0.41
YAP1 P46937 1/20 0.41
TGM2 P21980 2/20 0.40
F13A1 P00488 1/20 0.40
TGM1 P22735 1/20 0.40
F10 P00742 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL5728996 0.88 STS (0.48) STSGPR119TGM2F13A1TGM1
SCHEMBL6895114 0.86 STS (0.46) STSGPR119F10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5730732 0.86 F10 (0.42) F10LMNA
SCHEMBL6887446 0.85 GPR119 (0.47) STSGPR119TGFBR1TGM2F13A1
SCHEMBL7053181 0.84 STS (0.48) STSGPR119F10KDM4EALDH1A1
SCHEMBL5734964 0.84 FNTA (0.52) STSGPR119TGM2F13A1TGM1
SCHEMBL5729645 0.83 F10 (0.44) F10SMN1; SMN2
SCHEMBL7053070 0.83 STS (0.43) STSGPR119F10
SCHEMBL7048729 0.82 STS (0.46) STSGPR119TGFBR1TGM2F13A1
SCHEMBL5729524 0.81 F10 (0.43) STSF10ALDH1A1

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