SCHEMBL5729933

SCHEMBL5729933

C=Cc1ccc(S(=O)(=O)N2CC(=O)N(NC3CCN(c4ccnc(C)c4)CC3)C(C(=O)OC)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM1 P11229 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
F10 P00742 2/20 0.35
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
LDHA P00338 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32

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
SCHEMBL5730155 0.88 F10 (0.35) ALDH1A1KMT2ACHRM1HCRTR1HCRTR2
SCHEMBL5730233 0.85 F10 (0.40) ALDH1A1KMT2ACHRM1HCRTR1HCRTR2
SCHEMBL5731177 0.85 F10 (0.49) F10F2PLATKLKB1
SCHEMBL5730159 0.78 LDHA (0.36) CHRM1HCRTR1HCRTR2F10F2
SCHEMBL5730616 0.76 NR1H2 (0.42) ALDH1A1KMT2ANR1H2NR1H3MEN1
SCHEMBL5733416 0.76 F10 (0.51) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5729673 0.76 F10 (0.51) F10F2PLATKLKB1
SCHEMBL5730431 0.76 F10 (0.55) F10
Hydrochloric Acid SCHEMBL5729006 0.75 F10 (0.54) F10
SCHEMBL5729156 0.73 F10 (0.49) 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