SCHEMBL24159545

SCHEMBL24159545

COC(=O)/C=C/c1ccccc1N(Sc1cccc(C(F)(F)F)c1)Sc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAOB P27338 5/20 0.42
▸ NR1H4 Q96RI1 2/20 0.40
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL18045974 0.77 MAOB (0.46) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18047212 0.77 NR1H4 (0.46) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18045975 0.77 MAOB (0.46) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18047214 0.77 NR1H4 (0.46) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18046319 0.77 MAOB (0.47) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18046316 0.77 MAOB (0.47) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL18069273 0.74 MAOB (0.42) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL12677375 0.72 MAOB (0.64) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL12569877 0.71 GAA (0.48) ALDH1A1GAALMNAMAPTMAOB
SCHEMBL9493078 0.70 ALDH1A1 (0.51) ALDH1A1GAALMNAMAPTMAOB

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
EP-3932914-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS Valo Health, Inc. (US) 2022-01-05 — — EP disclosed
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