SCHEMBL3266993

SCHEMBL3266993

CCOc1ccc([N+](=O)[O-])c(C(C)(C(=O)O)c2ccccc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MAPK1 P28482 5/20 0.46
PKM P14618 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 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
SCHEMBL3266991 1.00 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3268006 0.87 NPSR1 (0.52) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3268013 0.87 NPSR1 (0.52) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3266813 0.87 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3266817 0.87 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3270454 0.86 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3270451 0.86 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3267864 0.86 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3267869 0.86 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3229033 0.80 NPSR1 (0.46) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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