SCHEMBL8562879

SCHEMBL8562879

CNC(=O)C1CNc2ccccc2S1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.34
IDO1 P14902 1/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33

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
SCHEMBL8562883 1.00 HSD17B10 (0.38) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8565239 1.00 HSD17B10 (0.38) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8561825 0.84 HPGD (0.42) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8561821 0.84 HPGD (0.42) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8561817 0.84 HPGD (0.42) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8567220 0.82 HSD17B10 (0.44) HSD17B10HTTBRD4CREBBPMTNR1A
SCHEMBL8567223 0.82 HSD17B10 (0.44) HSD17B10HTTBRD4CREBBPMTNR1A
SCHEMBL8444707 0.82 HSD17B10 (0.44) HSD17B10HTTBRD4CREBBPMTNR1A
SCHEMBL2575051 0.81 MAPT (0.43) HSD17B10HTTBRD4CREBBPHPGD
SCHEMBL8571952 0.80 HSD17B10 (0.38) HSD17B10HTTBRD4CREBBPHPGD

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