SCHEMBL5729893

SCHEMBL5729893

Cc1nccc(N2CCC(N(C)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3=O)CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.43
F2 P00734 2/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
POLB P06746 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
Hydrochloric Acid SCHEMBL5729249 0.90 F10 (0.43) F10F2PLATKLKB1KDM4E
SCHEMBL5729416 0.87 ALDH1A1 (0.48) F10F2PLATKLKB1KDM4E
SCHEMBL5728845 0.87 F10 (0.58) F10F2PLATKLKB1KDM4E
Hydrochloric Acid SCHEMBL5728947 0.86 F10 (0.57) F10F2PLATKLKB1KDM4E
SCHEMBL5728778 0.85 F10 (0.59) F10F2PLATKLKB1
SCHEMBL5730091 0.85 F10 (0.48) F10F2PLATKLKB1
SCHEMBL5728862 0.85 F10 (0.58) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5729028 0.84 F10 (0.55) F10F2PLATKLKB1KDM4E
Hydrochloric Acid SCHEMBL5730264 0.84 F10 (0.58) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5730867 0.84 F10 (0.58) F10F2PLATKLKB1

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