SCHEMBL8563784

SCHEMBL8563784

CCOC(=O)[C@@H]1CNc2ccccc2S1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.43
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39
BCHE P06276 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
CACNA1C Q13936 2/20 0.38

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
SCHEMBL7820039 1.00 KDM4E (0.56) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8563782 1.00 KDM4E (0.56) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8444707 0.84 HSD17B10 (0.44) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8567220 0.84 HSD17B10 (0.44) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8567223 0.84 HSD17B10 (0.44) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL31343808 0.80 KDM4E (0.41) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8561825 0.78 HPGD (0.42) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8561821 0.78 HPGD (0.42) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL8561817 0.78 HPGD (0.42) KDM4EHSD17B10TSHRMAPTALDH1A1
SCHEMBL2575051 0.77 MAPT (0.43) KDM4EHSD17B10TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed