SCHEMBL10908449

SCHEMBL10908449

Clc1ccc2c(c1)oc1cc(OCCCBr)ccc12

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ MAOB P27338 7/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.46
▸ MAOA P21397 2/20 0.43
▸ ALDH2 P05091 1/20 0.43
▸ XDH P47989 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL10648717 0.85 MAOB (0.52) AHRMAOBHRH3ACHE
SCHEMBL10910493 0.84 AHR (0.50) AHRMAOBHRH3MAOAACHE
SCHEMBL10910702 0.83 CA12 (0.50) AHRMAOBHRH3MAOAALDH2
Bromide SCHEMBL11094492 0.76 CHRNA7 (0.44) AHRMAOBMAOAACHEPRKDC
SCHEMBL7230194 0.76 ALDH2 (0.59) MAOBMAOAALDH2XDHACHE
SCHEMBL11089375 0.75 MAOB (0.66) MAOBHRH3XDHACHE
SCHEMBL4741939 0.75 ALDH2 (0.64) MAOBMAOAALDH2
SCHEMBL13438406 0.75 XDH (0.77) MAOBHRH3XDHACHEKDM4E
SCHEMBL11102156 0.75 AHR (0.46) AHRMAOBMAOAACHEKDM4E
Bromide SCHEMBL11089523 0.74 MAOB (0.46) MAOBHRH3XDHACHEPRKDC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094566-B1 DIBENZOFURANYLOXYALKANE-IMIDAZOLIUM SALTS, PROCESS FOR THEIR PREPARATION AND THEIR MICROBICIDAL APPLICATION BASF Aktiengesellschaft (DE) 1986-03-12 — — EP disclosed
US-4497819-A BACTERICIDES, FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
EP-0057362-B1 DIBENZOFURANE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BASF Aktiengesellschaft (DE) 1984-06-20 — — EP disclosed
EP-0094566-A1 Dibenzofuranyloxyalkane-imidazolium salts, process for their preparation and their microbicidal application BASF Aktiengesellschaft (DE) 1983-11-23 — — EP disclosed
US-4376776-A Dibenzofuran derivatives and their use for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1983-03-15 — — US disclosed
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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