SCHEMBL20207604

SCHEMBL20207604

COC(=O)CCSNc1nnc(-c2cccs2)n1-c1c(OC)cccc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 10/20 0.69
MIF P14174 1/20 0.46
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL20207497 0.93 APLNR (0.62) APLNRMIFNPSR1ALDH1A1HSD17B10
SCHEMBL20207630 0.88 APLNR (0.57) APLNRMIFNPSR1ALDH1A1HSD17B10
SCHEMBL22537335 0.87 APLNR (0.67) APLNRMIFHSD17B10TSHRMEN1
SCHEMBL20207363 0.86 APLNR (0.56) APLNR
SCHEMBL20207275 0.82 APLNR (0.64) APLNR
SCHEMBL20200845 0.82 APLNR (0.52) APLNR
SCHEMBL20190045 0.82 APLNR (1.00) APLNR
SCHEMBL22537315 0.80 APLNR (0.50) APLNRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL20189003 0.77 APLNR (0.88) APLNR
SCHEMBL20207252 0.75 APLNR (0.69) APLNR

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
WO-2018097945-A1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC. (US) 2018-05-31 WO disclosed