SCHEMBL10935232

SCHEMBL10935232

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.76
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 8/20 0.64
NPC1 O15118 7/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
ATM Q13315 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PIK3CG P48736 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
STAT1 P42224 1/20 0.55
HSD17B10 Q99714 2/20 0.55
ROCK2 O75116 1/20 0.52
TP53 P04637 1/20 0.51
ACP1 P24666 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL10936043 0.86 PIK3CA (0.77) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL11303998 0.83 NPC1 (0.80) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL10936133 0.83 DYRK1A (0.74) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL10936004 0.82 DYRK1A (0.75) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5928965 0.82 DYRK1A (0.75) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6068319 0.81 DYRK1A (0.70) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL10596177 0.81 RAB9A (0.81) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL7786534 0.80 CASP2 (0.77) DYRK1ARAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11207412 0.79 DYRK1A (0.72) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL10873161 0.79 MAPT (0.61) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E

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