SCHEMBL8567223

SCHEMBL8567223

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
EPHX2 P34913 1/20 0.37
CACNA1C Q13936 1/20 0.37
TSHR P16473 2/20 0.36
BCHE P06276 1/20 0.36
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8567220 1.00 HSD17B10 (0.44) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL8444707 1.00 HSD17B10 (0.44) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL7820039 0.84 KDM4E (0.56) HSD17B10HTTKDM4EBRD4CACNA1C
SCHEMBL8563782 0.84 KDM4E (0.56) HSD17B10HTTKDM4EBRD4CACNA1C
SCHEMBL8563784 0.84 KDM4E (0.56) HSD17B10HTTKDM4EBRD4CACNA1C
SCHEMBL8562883 0.82 HSD17B10 (0.38) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL8565239 0.82 HSD17B10 (0.38) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL8562879 0.82 HSD17B10 (0.38) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL2575051 0.81 MAPT (0.43) HSD17B10HTTKDM4EBRD4CREBBP
SCHEMBL8571952 0.80 HSD17B10 (0.38) HSD17B10HTTKDM4EBRD4CREBBP

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN 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