SCHEMBL10935002

SCHEMBL10935002

COc1c(Cl)c(C)cc2sc(NC(=O)CC(C)=O)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CASP2 P42575 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CSNK1D P48730 2/20 0.40
▸ DYRK1A Q13627 2/20 0.39

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
SCHEMBL10936393 0.79 NPC1 (0.58) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL10933809 0.78 MAPT (0.50) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL10988958 0.76 LMNA (0.54) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL10936135 0.73 RAB9A (0.50) SMN1; SMN2NPC1RAB9ACASP2MAPT
SCHEMBL10933165 0.71 ALDH1A1 (0.69) LMNAHPGDHSD17B10MAPTKMT2A
SCHEMBL10939456 0.70 GAA (0.63) NPC1RAB9ALMNAHPGDTSHR
SCHEMBL11269297 0.70 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL10939352 0.70 MAPT (0.45) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL10596956 0.69 MEN1 (0.59) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL10599620 0.68 DYRK1A (0.51) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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
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