SCHEMBL5730233

SCHEMBL5730233

C=Cc1ccc(S(=O)(=O)N2CC(=O)N(N(C)C3CCN(c4ccnc(C)c4)CC3)C(C(=O)OC)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
F2 P00734 1/20 0.39
PLAT P00750 1/20 0.39
KLKB1 P03952 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM1 P11229 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
LDHA P00338 1/20 0.33
MMP2 P08253 1/20 0.32
ANPEP P15144 1/20 0.32
ATM Q13315 1/20 0.32
PKM P14618 1/20 0.31
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
TGM3 Q08188 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL5729933 0.85 ALDH1A1 (0.38) F10F2PLATKLKB1ALDH1A1
Hydrochloric Acid SCHEMBL5729472 0.85 F10 (0.54) F10F2PLATKLKB1
SCHEMBL5729272 0.77 F10 (0.57) F10F2PLATKLKB1
SCHEMBL5730070 0.77 F10 (0.56) F10F2PLATKLKB1
SCHEMBL5730105 0.77 F10 (0.54) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5730562 0.77 F10 (0.56) F10F2PLATKLKB1
SCHEMBL5730155 0.76 F10 (0.35) F10F2PLATKLKB1ALDH1A1
Hydrochloric Acid SCHEMBL5729632 0.76 F10 (0.55) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5729555 0.76 F10 (0.53) F10F2PLATKLKB1
SCHEMBL5729911 0.75 F10 (0.55) 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