SCHEMBL3268013

SCHEMBL3268013

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 7/20 0.49
MAPK1 P28482 4/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TBXA2R P21731 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
PKM P14618 2/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3268006 1.00 NPSR1 (0.52) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266378 0.90 NPSR1 (0.52) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266374 0.90 NPSR1 (0.52) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266991 0.87 MAPT (0.46) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266993 0.87 MAPT (0.46) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3270451 0.80 MAPT (0.50) NPSR1MAPTMAPK1POLBLMNA
SCHEMBL3270454 0.80 MAPT (0.50) NPSR1MAPTMAPK1POLBLMNA
SCHEMBL3266275 0.80 KDM4E (0.44) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266278 0.80 KDM4E (0.44) NPSR1KDM4EMAPTMAPK1POLB
SCHEMBL3266817 0.79 MAPT (0.46) NPSR1MAPTMAPK1POLBTDP1

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