SCHEMBL7793772

SCHEMBL7793772

COc1ccc2nc3ccc(OC)cc3c(C(=O)Oc3c(F)ccc(F)c3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
PLA2G2A P14555 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.41
APP P05067 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 1/20 0.39
CYP1A2 P05177 1/20 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
SCHEMBL7796549 0.94 GRM2 (0.45) DHODHKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6584034 0.87 GRM2 (0.45) KDM4EHPGDALDH1A1POLBPLA2G2A
SCHEMBL8741605 0.82 GRM2 (0.45) DHODHKDM4EHPGDHSD17B10ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6584038 0.80 GRM2 (0.40) KDM4EHPGDALDH1A1POLBMEN1
SCHEMBL38663303 0.80 PLA2G2A (0.50) DHODHKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL16067319 0.80 CYP3A4 (0.50) DHODHKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL8142880 0.79 PLA2G2A (0.54) DHODHKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL38661529 0.79 PLA2G2A (0.54) DHODHKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6584296 0.79 KMT2A (0.40) DHODHKDM4EHPGDALDH1A1POLB
SCHEMBL12096583 0.79 PLA2G2A (0.46) DHODHKDM4EHPGDHSD17B10ALDH1A1

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-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP disclosed
US-5750698-A USEFUL IN DETECTING BOTH PEROXIDASE AND PEROXIDE LUMIGEN, INC. (US) 1998-05-12 US disclosed
US-5593845-A BY REACTION WITH PEROXIDES AND PEROXIDASE; DETECTION OF HAPTENS, PROTEINS, ANTIBODIES IN ENZYME IMMUNOASSAY LUMIGEN, INC. (US) 1997-01-14 US disclosed