SCHEMBL4697047

SCHEMBL4697047

C=CCn1ncc2c1CN(C(=O)O)CC2=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
MCL1 Q07820 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20558012 0.81 ELANE (0.36) ELANEHTT
SCHEMBL4695947 0.74 TMEM97 (0.33)
SCHEMBL5260866 0.62 CHRM2 (0.31)
SCHEMBL7162982 0.61 KDM4E (0.40) MITFALDH1A1LMNAPOLBHTT
SCHEMBL15767958 0.61 KDM4E (0.40) MITFALDH1A1LMNAPOLBHTT
SCHEMBL11241808 0.60 GRIA1 (0.47) MITFALDH1A1LMNAPOLBHTT
SCHEMBL31587485 0.59 NFE2L2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL2087994 0.59 KDM4E (0.45) MITFALDH1A1LMNAPOLBHTT
SCHEMBL15484267 0.58 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2
SCHEMBL28742040 0.58 SMN1; SMN2 (0.37) MITFALDH1A1LMNAPOLBHTT

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-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