SCHEMBL4696338

SCHEMBL4696338

C=CCOc1cccc2c1C(=NOCc1ccccc1)CN(C(=O)C(F)(F)F)C2C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GYS1 P13807 1/20 0.33
LIG1 P18858 1/20 0.30

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
SCHEMBL5252503 0.93 MRGPRX4 (0.33) MEN1KMT2AGYS1
SCHEMBL4138695 0.90 MEN1 (0.37) MEN1KMT2A
SCHEMBL4138694 0.90 MEN1 (0.37) MEN1KMT2A
SCHEMBL4695526 0.90 MEN1 (0.36) MEN1KMT2AGYS1LIG1
SCHEMBL5186281 0.84 KMT2A (0.37) MEN1KMT2A
SCHEMBL5186308 0.84 KMT2A (0.37) MEN1KMT2A
SCHEMBL4692474 0.84 ESR1 (0.35)
SCHEMBL5254044 0.81 CA1 (0.33)
SCHEMBL4135218 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL4135216 0.81 MEN1 (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
EP-1399444-A2 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS Aventis Pharma S.A. (FR) 2004-03-24 EP disclosed
WO-2002100860-A2 HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-12-19 WO disclosed