SCHEMBL28638741

SCHEMBL28638741

COC(=O)C(C)n1c(=O)c(Br)cn(C(c2ccccc2)c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ PLA2G4A P47712 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 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
SCHEMBL21900257 0.87 GAA (0.46) GAAKMT2AALDH1A1LMNAKDM4E
SCHEMBL28638669 0.77 GNRHR (0.39) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL28652312 0.76 KDM4E (0.48) GAAKMT2AALDH1A1LMNAMEN1
SCHEMBL28639201 0.74 GAA (0.40) GAAKMT2AALDH1A1MEN1KDM4E
SCHEMBL19873831 0.72 GAA (0.43) GAAKMT2AALDH1A1MAPTPABPC1
SCHEMBL21900227 0.68 MAPT (0.46) GAAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL38659645 0.66 POLB (0.37) KMT2AALDH1A1PTGS2KDM4EMAPT
SCHEMBL28656630 0.66 ALDH1A1 (0.35) KMT2ACRHBPCRHR2ALDH1A1LMNA
SCHEMBL28653826 0.66 ALDH1A1 (0.35) KMT2ACRHBPCRHR2ALDH1A1LMNA
SCHEMBL28653825 0.66 ALDH1A1 (0.35) KMT2ACRHBPCRHR2ALDH1A1LMNA

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-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 — — CN disclosed
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