SCHEMBL29615863

SCHEMBL29615863

COC(=O)c1ccc(Nc2cccc(C(=O)NCCC(C)C)c2C2CC2)c(C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.38
▸ KCNA5 P22460 4/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ F3 P13726 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CASR P41180 1/20 0.34

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
SCHEMBL30666298 1.00 GAA (0.39) GAAHPGDGPR52KCNA5NPC1
SCHEMBL28746342 1.00 GAA (0.39) GAAHPGDGPR52KCNA5NPC1
SCHEMBL28746344 0.91 SMN1; SMN2 (0.41) GAAHPGDGPR52KCNA5NPC1
SCHEMBL29486146 0.91 SMN1; SMN2 (0.41) GAAHPGDGPR52KCNA5NPC1
SCHEMBL29486081 0.84 GPR52 (0.36) GAAHPGDGPR52KCNA5NPC1
SCHEMBL22899346 0.84 GPR52 (0.36) GAAHPGDGPR52KCNA5NPC1
SCHEMBL28746339 0.77 KCNA5 (0.37) HPGDGPR52KCNA5NPC1SMN1; SMN2
SCHEMBL22899408 0.77 HPGD (0.35) HPGDGPR52KCNA5NPC1SMN1; SMN2
SCHEMBL31611960 0.76 KMT2A (0.43) HPGDKCNA5NPC1SMN1; SMN2RAB9A
SCHEMBL21617101 0.76 KMT2A (0.43) HPGDKCNA5NPC1SMN1; SMN2RAB9A

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-3999493-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2022-05-25 — — EP disclosed
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