SCHEMBL8740692

SCHEMBL8740692

COc1cc(OC=O)c2cc3ccccc3nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NQO2 P16083 3/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TLR8 Q9NR97 1/20 0.41
NQO1 P15559 1/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
KDM1A O60341 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL17423273 0.85 NQO1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL222907 0.79 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
Water SCHEMBL7769205 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28335934 0.75 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29097636 0.75 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8688917 0.73 CYP2D6 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL14579662 0.72 NQO1 (0.71) ALDH1A1KDM4ENQO2NQO1MAPT
Acridine SCHEMBL28113323 0.71 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL240664 0.71 NQO2 (0.57) ALDH1A1KMT2ASMN1; SMN2KDM4ENQO2
SCHEMBL29928420 0.69 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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-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