SCHEMBL20180767

SCHEMBL20180767

CC(C)(C)OC(=O)N1CCCC(SN)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.44
PREP P48147 2/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP30 Q70CQ3 1/20 0.42
HPGDS O60760 1/20 0.42
RECQL P46063 1/20 0.41
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
NR1H2 P55055 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GLS O94925 1/20 0.40

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
SCHEMBL29063819 0.90 HPGD (0.49) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL20635839 0.88 HPGD (0.57) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL24683190 0.86 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL20635761 0.83 NR1H2 (0.51) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1068167 0.83 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1068169 0.83 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1068166 0.83 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL771302 0.81 MEN1 (0.55) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL7853345 0.81 MEN1 (0.55) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL181567 0.81 MAPT (0.55) MEN1ALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed