SCHEMBL3270451

SCHEMBL3270451

CCOc1ccc([N+](=O)[O-])c(C(C)(C(=O)O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
MAPK1 P28482 4/20 0.49
PKM P14618 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
RECQL P46063 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3270454 1.00 MAPT (0.50) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3266817 0.86 MAPT (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3266991 0.86 MAPT (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3266813 0.86 MAPT (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3266993 0.86 MAPT (0.46) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3268006 0.80 NPSR1 (0.52) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL3268013 0.80 NPSR1 (0.52) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL19130275 0.78 NPSR1 (0.55) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL6809337 0.78 NPSR1 (0.55) MAPTALDH1A1RAB9ANPC1MAPK1
SCHEMBL3267869 0.77 MAPT (0.45) MAPTALDH1A1LMNARAB9ANPC1

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-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP disclosed
EP-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 WO disclosed