SCHEMBL28910522

SCHEMBL28910522

COc1ccc(CN2C=C(c3cc(-c4cccs4)nc([S+]([O-])CCC(OCc4ccccc4)c4ccccc4)n3)C=CC2)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30

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
SCHEMBL28306288 0.87 — —
SCHEMBL28307468 0.87 PDE2A (0.32) MAPTKMT2AHSD17B10
SCHEMBL28910510 0.87 TP53 (0.39) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29976298 0.81 SDHB (0.42) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL19805932 0.81 SDHB (0.42) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL28306356 0.73 SDHB (0.35) MAPTHPGDLMNAMEN1KMT2A
SCHEMBL28306419 0.73 SDHB (0.46) KDM4EALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL19805740 0.72 SDHB (0.46) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29976021 0.72 SDHB (0.46) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29975980 0.69 SDHB (0.45) KDM4EALDH1A1HSD17B10

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-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — CN disclosed
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