SCHEMBL26129231

SCHEMBL26129231

COc1cc2nc(Oc3ccccc3N)ccc2cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
KDR P35968 4/20 0.43
AURKA O14965 3/20 0.43
MET P08581 3/20 0.43
TEK Q02763 3/20 0.43
AURKB Q96GD4 3/20 0.43
PLA2G10 O15496 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL30702373 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL30406925 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL28427722 0.80 GAA (0.45) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL27159700 0.76 DDR2 (0.47) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL30702328 0.76 DDR2 (0.47) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL30702334 0.74 KDR (0.40) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL28198407 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5408253 0.74 KDM4E (0.52) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5408247 0.72 KDM4E (0.64) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL23924017 0.71 PDGFRB (0.64) ALDH1A1KDM4EHPGDGLAGAA

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-2023190709-A1 LIPOSOME COMPOSITION AND LIPOSOME-CONTAINING PHARMACEUTICAL COMPOSITION エーザイ・アール・アンド・ディー・マネジメント株式会社 2023-10-05 WO disclosed