SCHEMBL10936133

SCHEMBL10936133

CC(=O)CC(=O)Nc1nc2ccc(C)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.74
RAB9A P51151 9/20 0.72
NPC1 O15118 7/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
TP53 P04637 2/20 0.72
ACP1 P24666 1/20 0.72
ALDH1A1 P00352 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MITF O75030 1/20 0.69
POLB P06746 1/20 0.69
APEX1 P27695 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
STAT1 P42224 1/20 0.65
CLK1 P49759 1/20 0.63
PTPN1 P18031 1/20 0.63
MAPT P10636 3/20 0.62
CSNK1D P48730 2/20 0.62

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
SCHEMBL10935986 0.89 DYRK1A (0.74) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL19844517 0.89 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL14189669 0.87 RAB9A (0.74) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL29477216 0.86 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL29500269 0.86 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL28384921 0.86 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL11920138 0.86 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL7924717 0.86 RAB9A (0.72) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL2175580 0.85 DYRK1A (1.00) DYRK1ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL10936004 0.85 DYRK1A (0.75) DYRK1ARAB9ANPC1SMN1; SMN2TP53

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-0051560-B1 MONOAZOPIGMENTS CONTAINING HETEROCYCLIC NUCLEI, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1985-01-16 EP disclosed
US-4400319-A Monoazo pigments containing heterocycles, and high-molecular organic materials dyed therewith CIBA-GEIGY CORPORATION (US) 1983-08-23 US disclosed
EP-0051560-A1 Monoazopigments containing heterocyclic nuclei, their preparation and use CIBA-GEIGY AG (CH) 1982-05-12 EP disclosed