SCHEMBL7701145

SCHEMBL7701145

O=C(OC(C(F)(F)F)C(F)(F)F)c1c2ccccc2nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRA6 Q16445 2/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PDE10A Q9Y233 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 2/20 0.39
DHODH Q02127 2/20 0.39

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
SCHEMBL7703348 0.89 PLA2G2A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7698330 0.88 PLA2G2A (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7702282 0.86 ALOX15 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7703696 0.86 KDM4E (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9944375 0.79 MEN1 (0.58) KMT2AMEN1PDE10AKDM4EALDH1A1
SCHEMBL7701142 0.78 MEN1 (0.40) KMT2AMEN1PDE10AKDM4EALDH1A1
SCHEMBL8169053 0.77 PLA2G2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL2991023 0.75 MEN1 (0.42) KMT2AMEN1PDE10AKDM4EALDH1A1
SCHEMBL4421304 0.74 KMT2A (0.50) KMT2AMEN1PDE10AKDM4EALDH1A1
SCHEMBL4763671 0.74 TSHR (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 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
US-6018047-A GROUP Z-A-AT POSITION 10, WHERE A IS A DIVALENT ORGANIC MOIETY AND Z IS CAPABLE OF COUPLING A BIOACTIVE COMPOUND, AND AT POSITION 9 AN ESTER WHICH FORMS DIOXETANE WITH HYDROGEN PEROXIDE; USE IN HETEROGENEOUS AND HOMOGENEOUS IMMUNOASSAYS ZOMER GIJSBERT (NL) 2000-01-25 US disclosed
US-5521103-A Acridinium compounds as chemiluminogenic label MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0324202-B1 Acridinium compounds as chemiluminogenic label MOCHIDA PHARM CO LTD (JP) 1994-08-24 EP disclosed
EP-0324202-A1 Acridinium compounds as chemiluminogenic label MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-07-19 EP disclosed