SCHEMBL21885881

SCHEMBL21885881

CCOc1cccc(C(=N)Nc2c(OC)cccc2OC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
APLNR P35414 2/20 0.43
GRM5 P41594 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
AHR P35869 1/20 0.35
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PABPC1 P11940 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30526995 0.84 MAPK8 (0.44) MAPK8APLNRGRM5SMN1; SMN2KCNK3
SCHEMBL30526992 0.84 APLNR (0.54) MAPK8APLNRSMN1; SMN2KCNK3KCNK9
SCHEMBL23026124 0.84 MAPK8 (0.44) MAPK8APLNRGRM5SMN1; SMN2KCNK3
SCHEMBL23026167 0.84 APLNR (0.54) MAPK8APLNRSMN1; SMN2KCNK3KCNK9
SCHEMBL21886277 0.79 APLNR (0.39) APLNRSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL20207309 0.71 GRM4 (0.41) SMN1; SMN2RAB9AMAPTALDH1A1KDM4E
SCHEMBL21826864 0.71 APLNR (0.42) MAPK8APLNRGRM5SMN1; SMN2MEN1
SCHEMBL31471124 0.71 APLNR (0.42) MAPK8APLNRGRM5SMN1; SMN2KCNK3
SCHEMBL21826883 0.71 APLNR (0.42) MAPK8APLNRGRM5SMN1; SMN2KCNK3
SCHEMBL31471102 0.71 APLNR (0.42) MAPK8APLNRGRM5SMN1; SMN2MEN1

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-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 WO disclosed