SCHEMBL7703696

SCHEMBL7703696

COc1ccc2c(C(=O)OC(C(F)(F)F)C(F)(F)F)c3ccccc3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NQO2 P16083 1/20 0.43
KDM1A O60341 1/20 0.42
TACR3 P29371 5/20 0.42
GRM2 Q14416 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL8169053 0.87 PLA2G2A (0.47) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL7701145 0.86 GABRA1 (0.46) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7702282 0.86 ALOX15 (0.43) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7703694 0.83 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7536012 0.82 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7020881 0.80 MAPT (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6584881 0.80 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7703348 0.80 PLA2G2A (0.46) PLA2G2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL8741772 0.79 TP53 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7698330 0.79 PLA2G2A (0.45) KDM4EALDH1A1POLBGRM2PLA2G2A

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