SCHEMBL20201186

SCHEMBL20201186

COc1ncnc(OC)c1-n1c(C)nnc1-c1ccc(Br)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.53
MAPT P10636 6/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPK1 P28482 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PRNP P04156 1/20 0.35
ALPG P10696 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
TP53 P04637 3/20 0.35
USP2 O75604 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
ALOX15 P16050 1/20 0.33
RECQL P46063 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
SCHEMBL20201183 0.86 APLNR (0.52) APLNR
SCHEMBL22810444 0.72 APLNR (0.71) APLNR
SCHEMBL20189194 0.71 APLNR (1.00) APLNR
SCHEMBL20207395 0.70 APLNR (0.52) APLNR
SCHEMBL20190933 0.68 APLNR (0.55) APLNRMAPTNPC1RAB9AMAPK1
SCHEMBL20514236 0.68 MEN1 (0.41) APLNRMAPTNPC1RAB9AMAPK1
SCHEMBL20200907 0.66 APLNR (0.52) APLNR
SCHEMBL20190589 0.65 APLNR (0.52) APLNRMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL19573982 0.61 APLNR (0.54) APLNR
SCHEMBL11983825 0.61 NPC1 (0.46) MAPTNPC1RAB9AMAPK1KDM4E

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-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed