SCHEMBL7702486

SCHEMBL7702486

COc1cc2nc3ccccc3c(C(=O)O)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
NQO2 P16083 1/20 0.54
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
PDE10A Q9Y233 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
WHR1 P49842 1/20 0.48
PDPK1 O15530 1/20 0.48
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL7698174 0.91 PDE3B (0.47) ALOX15NQO2MEN1KMT2AKDM4E
SCHEMBL6584881 0.82 KDM4E (0.56) ALOX15NQO2MEN1KMT2ANPC1
SCHEMBL3036200 0.82 KDM4E (0.56) ALOX15NQO2MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL7531424 0.81 KDM4E (0.54) ALOX15NQO2MEN1KMT2ANPC1
SCHEMBL28900198 0.80 PDE10A (0.52) ALOX15MEN1KMT2ANPC1RAB9A
SCHEMBL13223636 0.80 NPC1 (0.59) ALOX15NQO2MEN1KMT2ANPC1
SCHEMBL641899 0.80 PDE10A (0.66) NQO2MEN1KMT2AKDM4EMAPT
SCHEMBL29377848 0.80 PDE10A (0.66) NQO2MEN1KMT2AKDM4EMAPT
SCHEMBL7702282 0.80 ALOX15 (0.43) ALOX15NQO2MEN1KMT2ANPC1
SCHEMBL5202630 0.79 PDE10A (0.66) PDE10AWHR1TSHRDHODH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed
EP-0915851-A1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS DE STAAT DER NEDERLANDEN VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1999-05-19 EP disclosed
WO-1998002421-A1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGEZONDHEID EN CULTUUR (NL) 1998-01-22 WO disclosed