SCHEMBL10935261

SCHEMBL10935261

CC(=O)CC(=O)Nc1nc2cccc(C)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
NPC1 O15118 4/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 7/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ACP1 P24666 2/20 0.47
MAPT P10636 5/20 0.47
ADORA1 P30542 1/20 0.46
DYRK1A Q13627 1/20 0.46
BLM P54132 1/20 0.45
LMNA P02545 3/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL10598617 0.84 MEN1 (0.54) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10936271 0.84 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3933070 0.79 DYRK1A (0.72) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10872042 0.79 NPC1 (0.53) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10933165 0.79 ALDH1A1 (0.69) MEN1KMT2AMAPK1ALDH1A1HTT
SCHEMBL10936135 0.75 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPK1ALDH1A1
SCHEMBL10935986 0.73 DYRK1A (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL10936133 0.73 DYRK1A (0.74) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL2753573 0.73 POLB (0.60) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL11848824 0.73 NPC1 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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