SCHEMBL10935898

SCHEMBL10935898

CC(=O)CC(=O)Nc1nc2cc(Cl)ccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.59
FSCN1 Q16658 1/20 0.59
IDO1 P14902 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CSNK1D P48730 4/20 0.53
CLK1 P49759 2/20 0.52
SENP7 Q9BQF6 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL5928965 0.89 DYRK1A (0.75) DYRK1AFSCN1NPC1RAB9ASMN1; SMN2
SCHEMBL9892912 0.88 RAB9A (0.68) DYRK1AFSCN1IDO1NPC1RAB9A
SCHEMBL9893066 0.86 DYRK1A (0.78) DYRK1AFSCN1IDO1NPC1RAB9A
SCHEMBL10935986 0.85 DYRK1A (0.74) DYRK1ANPC1RAB9ASMN1; SMN2CLK1
SCHEMBL10596662 0.83 RAB9A (0.65) DYRK1ANPC1RAB9ASMN1; SMN2CLK1
SCHEMBL3933070 0.80 DYRK1A (0.72) DYRK1ANPC1RAB9ASMN1; SMN2CSNK1D
SCHEMBL9891796 0.80 NPC1 (0.59) DYRK1AFSCN1IDO1NPC1RAB9A
SCHEMBL9891513 0.80 NPC1 (0.57) DYRK1AFSCN1IDO1NPC1RAB9A
SCHEMBL10936135 0.79 RAB9A (0.50) DYRK1ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10871355 0.78 RAB9A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1

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