SCHEMBL5729520

SCHEMBL5729520

O=C(O)CNN1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.44
F2 P00734 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 2/20 0.41
MAPT P10636 2/20 0.41
AKR1C1 Q04828 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5729645 0.78 F10 (0.44) F10F2
SCHEMBL5729284 0.77 SMN1; SMN2 (0.46) F10F2MEN1PKMKMT2A
Hydrochloric Acid SCHEMBL5730732 0.77 F10 (0.42) F10F2MAPTLMNAGAA
Hydrochloric Acid SCHEMBL7535015 0.75 F10 (0.43) F10F2
Hydrochloric Acid SCHEMBL5729459 0.74 F10 (0.42) F10F2PKMMAPT
Hydrochloric Acid SCHEMBL5729499 0.74 F10 (0.42) F10F2PKMMAPT
SCHEMBL5728783 0.74 APP (0.44) F10
SCHEMBL5730513 0.74 F10 (0.62) F10
Hydrochloric Acid SCHEMBL5729031 0.74 F10 (0.48) F10F2LMNA
SCHEMBL5730083 0.73 F10 (0.52) F10F2

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