SCHEMBL29015360

SCHEMBL29015360

COC(=O)C(=Cc1cc(F)c(Cl)cc1Cl)N=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.34
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SENP7 Q9BQF6 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
SCHEMBL24189621 1.00 ALPL (0.34) ALPLMAPTNPC1HTTRAB9A
SCHEMBL30396858 1.00 ALPL (0.34) ALPLMAPTNPC1HTTRAB9A
SCHEMBL30395299 0.96 ALDH1A1 (0.31) ALPLMAPTNPC1HTTRAB9A
SCHEMBL30397150 0.96 ALDH1A1 (0.31) ALPLMAPTNPC1HTTRAB9A
SCHEMBL29015399 0.96 ALDH1A1 (0.31) ALPLMAPTNPC1HTTRAB9A
SCHEMBL31342394 0.90 MAPT (0.33) ALPLMAPT
SCHEMBL25764619 0.89 SMN1; SMN2 (0.34) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL18989880 0.86 CA12 (0.36) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL18989878 0.86 CA12 (0.36) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL30310480 0.86 CA12 (0.36) MAPTNPC1HTTRAB9ASMN1; SMN2

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-116096714-A Antiviral compounds for the treatment of coronavirus, picornavirus and norovirus infections 安力高医药股份有限公司 2023-05-09 — — CN disclosed
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