SCHEMBL20177966

SCHEMBL20177966

Clc1ccc(CSNc2nnc(C3CCCC3)n2-c2c(Br)cccc2Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
APLNR P35414 9/20 0.37
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD11B1 P28845 2/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM2 Q14416 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
SCHEMBL20177769 0.91 APLNR (0.47) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL20177791 0.90 APLNR (0.39) ALDH1A1GAAKDM4EGLAMAPT
SCHEMBL20177619 0.81 APLNR (0.49) MAPTAPLNRHPGD
SCHEMBL20167355 0.78 APLNR (0.60) APLNR
SCHEMBL20168388 0.72 APLNR (0.60) APLNR
SCHEMBL20177615 0.69 APLNR (0.44) ALDH1A1MAPTAPLNRHPGDTSHR
SCHEMBL20177593 0.68 APLNR (0.46) MAPTAPLNRHPGD
SCHEMBL20177731 0.68 ALDH1A1 (0.35) ALDH1A1RAB9ANPSR1MEN1KMT2A
SCHEMBL20166129 0.64 APLNR (0.80) APLNR
SCHEMBL20177578 0.59 APLNR (0.44) ALDH1A1KDM4EAPLNRHPGDTSHR

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