SCHEMBL7703348

SCHEMBL7703348

O=C(OC(C(F)(F)F)C(F)(F)F)c1c2ccccc2nc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.46
DHODH Q02127 15/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
HDAC3 O15379 1/20 0.41
ACHE P22303 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL7701145 0.89 GABRA1 (0.46) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL7698330 0.86 PLA2G2A (0.45) PLA2G2ADHODHGABRA1GABRG2GABRB3
SCHEMBL7702282 0.82 ALOX15 (0.43) DHODHGABRA1GABRG2GABRB3GABRA5
SCHEMBL8169360 0.82 DHODH (0.42) PLA2G2ADHODHHDAC3ACHEHDAC4
SCHEMBL7703696 0.80 KDM4E (0.43) PLA2G2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL7698336 0.78 DHODH (0.59) DHODHHDAC3ACHEHDAC4HDAC1
SCHEMBL8741600 0.77 DHODH (0.46) PLA2G2ADHODHHDAC3ACHEHDAC4
SCHEMBL8169053 0.77 PLA2G2A (0.47) PLA2G2ADHODH
SCHEMBL4421304 0.73 KMT2A (0.50) DHODHACHE
SCHEMBL7702925 0.71 ABHD6 (0.46) 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 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