SCHEMBL8688917

SCHEMBL8688917

COc1cc(C(=O)O)c2cc3ccccc3nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CDC25B P30305 2/20 0.53
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 5/20 0.52
POLB P06746 4/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TP53 P04637 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
HIF1A Q16665 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51

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
SCHEMBL28764296 0.79 TP53 (0.52) CYP2D6CYP2C9KDM4EALDH1A1POLB
SCHEMBL1162404 0.79 CDC25B (0.80) CYP2D6CYP2C9CDC25BKDM4EALDH1A1
SCHEMBL222908 0.78 NR4A1 (0.60) CDC25BKDM4EALDH1A1POLBHPGD
SCHEMBL7030453 0.78 HIF1A (0.51) CYP2D6CYP2C9KDM4EALDH1A1POLB
SCHEMBL7099574 0.77 NPC1 (0.56) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL10889935 0.77 CDC25B (0.78) CYP2D6CYP2C9CDC25BKDM4EALDH1A1
SCHEMBL17423273 0.77 NQO1 (0.52) KDM4EALDH1A1POLBHPGDHSD17B10
Acridine SCHEMBL31147690 0.77 NR4A1 (0.58) CDC25BKDM4EALDH1A1POLBHPGD
Water SCHEMBL7769203 0.77 NR4A1 (0.58) CDC25BKDM4EALDH1A1POLBHPGD
Acridine SCHEMBL29774329 0.77 NR4A1 (0.58) CDC25BKDM4EALDH1A1POLBHPGD

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
US-5723295-A MULTISTAGE CHEMILUMINESCENT ASSAY WITH PEROXIDASE ENZYME, PH ADJUSTMENT LUMIGEN, INC. (US) 1998-03-03 US disclosed
US-5670644-A CHEMILUMINESCENT REACTIONS, PEROXIDASE AND PH FOR IMMUNOASSAY LUMIGEN, INC. (US) 1997-09-23 US disclosed
EP-0755457-A4 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 1997-07-16 EP disclosed
EP-0755457-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1997-01-29 EP disclosed
US-5523212-A OXIDATION WITH PEROXIDE AND PEROXIDASE TO EXCITED ACRIDONE DERIVATIVE; DETECTING PROTEINS, HAPTENS, ANTIBODIES, ENZYMES LUMIGEN, INC. (US) 1996-06-04 US disclosed
WO-1995028495-A1 NOVEL ARYL-N-ALKYLACRIDANTHIOCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN, INC. (US) 1995-10-26 WO disclosed