SCHEMBL4630209

SCHEMBL4630209

O=C(CBr)NCC(O)(CCOC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK1 P28482 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL4630752 0.91 TDP1 (0.38) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL4631672 0.84 TDP1 (0.42) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL3907379 0.84 NPC1 (0.40) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL3902832 0.81 NPC1 (0.41) TDP1MEN1KMT2ANPC1LMNA
SCHEMBL3909047 0.81 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL6949561 0.80 TDP1 (0.42) TDP1ALDH1A1NPC1LMNARAB9A
SCHEMBL3910148 0.78 NPC1 (0.40) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL4630560 0.77 KCNN4 (0.38) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL3899280 0.73 ALDH1A1 (0.38) TDP1MEN1KMT2AALDH1A1NPC1
SCHEMBL3900035 0.71 ALDH1A1 (0.34) TDP1MEN1KMT2AALDH1A1NPC1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
EP-1340754-A1 Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2003-09-03 EP disclosed
EP-0807111-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1156049-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2001-11-21 EP disclosed
US-6011154-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 2000-01-04 US disclosed
US-5977359-A Substituted heterocyclic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1999-11-02 US disclosed
EP-0915882-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1999-05-19 EP disclosed
US-5869663-A INTERMEDIATES FOR NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1999-02-09 US disclosed
US-5780466-A DISORDERS ASSOCIATED WITH EXCESS TACHYKININS AND ALL NEUROKININ-DEPENDENT DISORDERS; ANALGESICS; RESPIRATORY, GASTROINTESTINAL, UROGENTIAL, IMMUNE, CARDIOVASCULAR AND CNS DISORDERS SANOFI (FR) 1998-07-14 US disclosed
WO-1998004561-A1 1-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-02-05 WO disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed