SCHEMBL28514795

SCHEMBL28514795

COC(=O)c1ccc(NC(=O)c2ccc(C(=N)c3ccc(N)cc3)c(OC(C)C)c2O)c(OC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.43
▸ MAPT P10636 4/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TOP2A P11388 5/20 0.39
▸ BCL2 P10415 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ BAK1 Q16611 1/20 0.39
▸ AR P10275 1/20 0.39
▸ PELP1 Q8IZL8 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL16371049 0.89 MAPT (0.48) EP300MAPTGAAMAPK1NPC1
SCHEMBL16392500 0.86 EP300 (0.52) EP300MAPTGAAMAPK1NPC1
SCHEMBL28514797 0.81 EP300 (0.37) EP300MAPTNPC1RAB9ABCL2
SCHEMBL16392463 0.81 EP300 (0.57) EP300GAARAB9ATOP2ABCL2
SCHEMBL17775442 0.81 ALDH1A1 (0.47) EP300MAPTGAAMAPK1NPC1
SCHEMBL17784953 0.79 EP300 (0.56) EP300MAPTGAAMAPK1RAB9A
SCHEMBL16392496 0.79 AR (0.58) EP300MAPTGAAARPELP1
SCHEMBL17775416 0.79 EP300 (0.48) EP300MAPTGAAMAPK1NPC1
SCHEMBL19601406 0.79 EP300 (0.46) EP300MAPTGAAMAPK1NPC1
SCHEMBL19608100 0.78 EP300 (0.49) EP300MAPTMAPK1NPC1RAB9A

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
CN-105793424-B Ascomycetes amides 亥姆霍兹感染研究中心有限公司 2021-02-19 — — CN disclosed
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