SCHEMBL7586545

SCHEMBL7586545

CC(=O)CC(=O)Nc1cc2c(cc1C)=NC(=O)C(=O)N=2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 8/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 2/20 0.35
TP53 P04637 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL10387996 0.91 MAPT (0.45) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7592680 0.83 ALDH1A1 (0.43) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2909396 0.81 MEN1 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL1906434 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7584127 0.79 KDM4E (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL11575236 0.78 MEN1 (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL7587097 0.75 KDM4E (0.53) MAPTMEN1KMT2AHTTLMNA
SCHEMBL10386484 0.74 ALDH1A1 (0.43) MAPTMEN1KMT2AHTTLMNA
SCHEMBL10386482 0.74 MAPT (0.41) MAPTMEN1KMT2AHTTLMNA
SCHEMBL11575861 0.73 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTLMNA

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-0894831-B1 Monoazo pigments of the quinoxaline-acetarylide type CLARIANT GMBH (DE) 2002-10-09 EP disclosed
US-5910577-A YELLOW HUE, GREATER LIGHT AND WEATHER FASTNESS CLARIANT GMBH (DE) 1999-06-08 US disclosed
EP-0894831-A1 Monoazo pigments of the quinoxaline-acetarylide type Clariant GmbH (DE) 1999-02-03 EP disclosed