SCHEMBL11294334

SCHEMBL11294334

Brc1ccc2c(c1)oc1cc(OCC[N+]3(Cc4ccccc4)CCCCC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.39
▸ MAOB P27338 3/20 0.39
▸ BCHE P06276 7/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ XDH P47989 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38

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
Hydrochloric Acid SCHEMBL11097325 0.99 ACHE (0.39) ACHEMAOBBCHEMEN1RAB9A
Bromide SCHEMBL11095141 0.98 ACHE (0.39) ACHEMAOBBCHEMEN1RAB9A
Hydrochloric Acid SCHEMBL11091733 0.93 ACHE (0.40) ACHEBCHEXDH
Hydrochloric Acid SCHEMBL11094001 0.86 MAOB (0.41) ACHEMAOBBCHEMEN1RAB9A
Hydrochloric Acid SCHEMBL11089157 0.86 CA12 (0.40) ACHEMAOBBCHEMEN1RAB9A
Hydrochloric Acid SCHEMBL11096484 0.85 ACHE (0.41) ACHEMAOBBCHEMEN1RAB9A
Bromide SCHEMBL11171168 0.81 MAOB (0.42) ACHEMAOBBCHEXDH
SCHEMBL11288733 0.81 MAOB (0.42) ACHEMAOBBCHE
Hydrochloric Acid SCHEMBL11092182 0.80 MAOB (0.42) ACHEMAOBBCHE
Bromide SCHEMBL11084644 0.79 CHRNB2 (0.44) MAOBXDH

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-0057362-A1 Dibenzofurane derivatives, process for their preparation and their use as fungicides BASF Aktiengesellschaft (DE) 1982-08-11 — — EP disclosed
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