SCHEMBL3391817

SCHEMBL3391817

NC(=O)c1n[nH]cc1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.42
ALOX5 P09917 1/20 0.42
ILK Q13418 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
GSK3B P49841 1/20 0.39
ADK P55263 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DHFR P00374 1/20 0.37
PARP10 Q53GL7 1/20 0.37
LCK P06239 1/20 0.36
MAP2K3 P46734 1/20 0.36

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
SCHEMBL8297950 0.86 MEN1 (0.46) KDM4EGSK3BADKMEN1KMT2A
Hydrochloric Acid SCHEMBL27450739 0.85 MEN1 (0.44) KDM4EGSK3BADKMEN1KMT2A
SCHEMBL13735546 0.80 IDO1 (0.33) MEN1KMT2A
SCHEMBL11745392 0.77 DHFR (0.46) KDM4EGAAGSK3BMEN1KMT2A
SCHEMBL27714735 0.76 PTPN11 (0.43) ALDH1A1
SCHEMBL954343 0.76 BCAT2 (0.47) CDC7KDM4EGSK3BALDH1A1LCK
SCHEMBL28501811 0.75 PARP1 (0.46) CDC7ALOX5ILKKDM4EGAA
SCHEMBL8301453 0.75 GSK3B (0.41) KDM4EGSK3BADKMEN1KMT2A
Carbamic Acid SCHEMBL31151006 0.74 ALOX5 (0.54) ALOX5KDM4EGAAMEN1KMT2A
SCHEMBL5849850 0.72 BCAT2 (0.55) CDC7ALOX5KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278114-A None JP disclosed
EP-1487802-B1 2,3-Diaryl-pyrazolidine derivatives as neurotensin degrading enzyme inhibitors ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-12-29 EP disclosed
US-5955474-A ANTIEDEMA AGENTS OR DIURETIC ANTAGONIST SANOFI (FR) 1999-09-21 US disclosed
EP-0647629-B1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-07-07 EP disclosed
US-5585497-A USEFUL IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH A DYSFUNCTION OF THE DOPAMINERGIC SYSTEMS SANOFI (FR) 1996-12-17 US disclosed
US-5585497-A USEFUL IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH A DYSFUNCTION OF THE DOPAMINERGIC SYSTEMS SANOFI (FR) 1996-12-17 US disclosed
US-5523455-A PREPARED USING A NAPHTHYLHYDRAZINE CHEMICAL INTERMEDIATE SANOFI (FR) 1996-06-04 US disclosed
US-5523455-A PREPARED USING A NAPHTHYLHYDRAZINE CHEMICAL INTERMEDIATE SANOFI (FR) 1996-06-04 US disclosed
US-5502059-A DOPAMINERGIC DYSFUNCTION DISORDERS SANOFI (FR) 1996-03-26 US disclosed
US-5502059-A DOPAMINERGIC DYSFUNCTION DISORDERS SANOFI (FR) 1996-03-26 US disclosed
US-5502059-A DOPAMINERGIC DYSFUNCTION DISORDERS SANOFI (FR) 1996-03-26 US disclosed
EP-0699438-A2 Use of neurotensin antagonists for the preparation of diuretic drugs SANOFI (FR) 1996-03-06 EP disclosed
JP-H07278114-A SUBSTITUTED 1-NAPHTHYL-3-PYRAZOLECARBOXAMIDE WHICH IS ACTIVE ON NEUROTENSIN, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SANOFI SA 1995-10-24 JP disclosed
CN-1108651-A Substituted 1-naphthyl-3-pyrazolecarboxamides which are actie on neurotensin, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1995-09-20 CN disclosed
CN-1108651-A Substituted 1-naphthyl-3-pyrazolecarboxamides which are actie on neurotensin, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1995-09-20 CN disclosed
CN-1108651-A Substituted 1-naphthyl-3-pyrazolecarboxamides which are actie on neurotensin, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1995-09-20 CN disclosed
EP-0647629-A1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP disclosed
EP-0647629-A1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP disclosed