SCHEMBL20177791

SCHEMBL20177791

Clc1ccc(CCSNc2nnc(C3CCCC3)n2-c2c(Br)cccc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 8/20 0.39
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 2/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRM2 Q14416 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL20177966 0.90 ALDH1A1 (0.40) APLNRALDH1A1GAAMAPTKDM4E
SCHEMBL20177769 0.81 APLNR (0.47) APLNRALDH1A1GAAMAPTKDM4E
SCHEMBL20167355 0.80 APLNR (0.60) APLNR
SCHEMBL20177615 0.79 APLNR (0.44) APLNRALDH1A1MAPTHPGDGFER
SCHEMBL20177593 0.78 APLNR (0.46) APLNRMAPTHPGDGFER
SCHEMBL20200844 0.68 APLNR (0.62) APLNR
SCHEMBL22537345 0.67 APLNR (0.44) APLNR
SCHEMBL20166129 0.67 APLNR (0.80) APLNR
SCHEMBL20177731 0.67 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL22812762 0.64 APLNR (0.55) 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-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed