SCHEMBL7592680

SCHEMBL7592680

CC(=O)CC(=O)Nc1cc2c(cc1Cl)=NC(=O)C(=O)N=2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
PGK1 P00558 2/20 0.37
ROCK2 O75116 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL10386484 0.91 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7586545 0.83 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL2914539 0.82 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1906434 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11576364 0.79 KMT2A (0.51) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL31570079 0.79 KMT2A (0.51) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7584127 0.77 KDM4E (0.51) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11775480 0.77 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2912069 0.74 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL7587097 0.74 KDM4E (0.53) ALDH1A1MEN1KMT2APOLBMAPT

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