SCHEMBL3266374

SCHEMBL3266374

CCOc1ccc(N)c(C(C)(C(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 6/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NR1H4 Q96RI1 2/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS2 P35354 1/20 0.39
FBP1 P09467 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL3266378 1.00 NPSR1 (0.52) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3268013 0.90 NPSR1 (0.52) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3268006 0.90 NPSR1 (0.52) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3266991 0.77 MAPT (0.46) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3266993 0.77 MAPT (0.46) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3266275 0.70 KDM4E (0.44) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3266278 0.70 KDM4E (0.44) NPSR1KDM4EMAPTPOLBMAPK1
SCHEMBL3270454 0.69 MAPT (0.50) NPSR1MAPTPOLBMAPK1ALDH1A1
SCHEMBL3270451 0.69 MAPT (0.50) NPSR1MAPTPOLBMAPK1ALDH1A1
SCHEMBL3266817 0.68 MAPT (0.46) NPSR1MAPTPOLBMAPK1TDP1

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