SCHEMBL4693679

SCHEMBL4693679

O=C1CN(C(=O)O)Cc2c1cnn2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPK1 P28482 1/20 0.42
RIPK2 O43353 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA4 P22748 4/20 0.42
CA9 Q16790 3/20 0.42
UGCG Q16739 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR4A3 Q92570 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.40
PDK2 Q15119 1/20 0.40
USP7 Q93009 1/20 0.40

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
SCHEMBL4138894 0.82 POLB (0.49) POLBMAPTPDK2
SCHEMBL5258807 0.76 PLK1 (0.50) HIF1AELANE
SCHEMBL4693156 0.73 MEN1 (0.38) KEAP1NFE2L2MAPK1RIPK2UGCG
SCHEMBL2512530 0.73 CA1 (0.67) HIF1AMAPK1CA1CA2CA4
SCHEMBL3133796 0.73 CA1 (0.63) HIF1AMAPK1CA1CA2CA4
SCHEMBL4692428 0.72 KEAP1 (0.44) KEAP1NFE2L2MAPK1RIPK2L3MBTL1
SCHEMBL20558012 0.71 ELANE (0.36) ELANE
SCHEMBL6163498 0.70 CA4 (0.69) HIF1ACA1CA2CA4CA9
SCHEMBL4697047 0.69 ELANE (0.34) L3MBTL1POLBSMN1; SMN2ELANE
SCHEMBL29375980 0.68 KMT2A (0.46) L3MBTL1MAPTSMN1; SMN2

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 1 patent. 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