SCHEMBL7796549

SCHEMBL7796549

COc1ccc2nc3ccccc3c(C(=O)Oc3c(F)ccc(F)c3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
PLA2G2A P14555 4/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 5/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NQO2 P16083 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
DHODH Q02127 2/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL7793772 0.94 DHODH (0.45) PLA2G2AKDM4EPOLBALDH1A1MEN1
SCHEMBL6584034 0.93 GRM2 (0.45) GRM2PLA2G2AKDM4EPOLBALDH1A1
SCHEMBL8741605 0.89 GRM2 (0.45) GRM2PLA2G2AKDM4EPOLBALDH1A1
SCHEMBL6584296 0.87 KMT2A (0.40) GRM2KDM4EPOLBALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL6584038 0.86 GRM2 (0.40) GRM2KDM4EPOLBALDH1A1MEN1
SCHEMBL7787062 0.84 DYRK1A (0.51) GRM2KDM4EPOLBALDH1A1MEN1
SCHEMBL38664805 0.83 PLA2G2A (0.49) PLA2G2AKDM4EPOLBALDH1A1MEN1
SCHEMBL7590460 0.80 DYRK1A (0.41) GRM2KDM4EPOLBALDH1A1MEN1
SCHEMBL8333267 0.80 RAB9A (0.41) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL8142880 0.79 PLA2G2A (0.54) PLA2G2AKDM4EPOLBALDH1A1MEN1

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-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
WO-1995023971-A1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-09-08 WO disclosed