SCHEMBL20201117

SCHEMBL20201117

C=CSN(CCSI)c1nnc(-c2ccco2)n1-c1c(OC)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 14/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL20200769 0.86 APLNR (0.41) APLNRALDH1A1NPC1MEN1POLB
SCHEMBL20201129 0.83 APLNR (0.42) APLNR
SCHEMBL21339423 0.83 APLNR (0.45) APLNR
SCHEMBL20200894 0.81 ALDH1A1 (0.49) APLNRALDH1A1NPC1MEN1POLB
SCHEMBL20201124 0.81 APLNR (0.40) APLNRALDH1A1NPC1
SCHEMBL21339359 0.79 APLNR (0.46) APLNR
SCHEMBL21339440 0.78 APLNR (0.42) APLNRALDH1A1MEN1KMT2AHPGD
SCHEMBL21339409 0.76 APLNR (0.47) APLNR
SCHEMBL20201084 0.76 APLNR (0.47) APLNR
SCHEMBL20201110 0.76 APLNR (0.49) 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 2 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
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed