SCHEMBL9564494

SCHEMBL9564494

CCCCCCOC(=O)Nc1nc(CC(=O)O)ns1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CSNK2A2 P19784 3/20 0.47
CSNK2A1 P68400 3/20 0.47
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 5/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT1 P42224 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
EPHX1 P07099 1/20 0.43
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8572316 0.88 TSHR (0.57) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL8569581 0.80 ALDH1A1 (0.44) ALDH1A1RAB9ATSHRNPC1SMN1; SMN2
SCHEMBL14647559 0.73 KDM4E (0.52) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL8567632 0.73 TSHR (0.47) ALDH1A1RAB9ATSHRMAPK1NPC1
SCHEMBL3368672 0.72 EPHX1 (0.59) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL77674 0.70 MAPK1 (0.56) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL91407 0.69 TSHR (0.68) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL77077 0.68 MAPK1 (0.57) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL3369754 0.68 EPHX1 (0.54) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1
SCHEMBL3368234 0.68 EPHX1 (0.54) ALDH1A1CSNK2A2CSNK2A1RAB9AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536900-A2 Process for preparing 1,2,4-Thiadiazole Derivatives KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1993-04-14 EP disclosed