SCHEMBL10937620

SCHEMBL10937620

CCCCOc1ccc2nc(NC(=O)CC(C)=O)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.68
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
LMNA P02545 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TP53 P04637 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 1/20 0.64
TSHR P16473 2/20 0.63
MAPT P10636 4/20 0.60
CSNK1D P48730 2/20 0.59
P2RY12 Q9H244 1/20 0.59
SCD O00767 1/20 0.59
CASP2 P42575 1/20 0.58
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL10576093 0.91 SMN1; SMN2 (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL7786534 0.85 CASP2 (0.77) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL10935498 0.81 NPC1 (0.75) SMN1; SMN2NPC1RAB9ALMNAHSD17B10
Tioxidazole SCHEMBL1033860 0.81 LMNA (1.00) SMN1; SMN2NPC1RAB9ALMNAHSD17B10
Tioxidazole SCHEMBL23382 0.81 LMNA (1.00) SMN1; SMN2NPC1RAB9ALMNAHSD17B10
SCHEMBL6229213 0.81 SMN1; SMN2 (0.82) SMN1; SMN2NPC1RAB9AHSD17B10TP53
Tioxidazole SCHEMBL3053813 0.80 LMNA (0.98) SMN1; SMN2NPC1RAB9ALMNAHSD17B10
SCHEMBL15376318 0.79 MAPT (0.78) SMN1; SMN2NPC1RAB9AHSD17B10TP53
Tioxidazole SCHEMBL21192520 0.79 LMNA (0.95) SMN1; SMN2NPC1RAB9ALMNAHSD17B10
SCHEMBL10936133 0.79 DYRK1A (0.74) SMN1; SMN2NPC1RAB9ALMNATP53

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