SCHEMBL10454121

SCHEMBL10454121

O=c1c2ccc(-c3nnn[nH]3)cc2oc2ccc(OCCO)cc12.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 2/20 0.43
▸ ACSL6 Q9UKU0 2/20 0.43
▸ MAOB P27338 9/20 0.42
▸ ALDH2 P05091 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ HRH3 Q9Y5N1 8/20 0.40
▸ XDH P47989 5/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 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
SCHEMBL10453571 0.99 ACSL1 (0.44) ACSL1ACSL6MAOBALDH2MAOA
SCHEMBL10454123 0.98 ACSL1 (0.43) ACSL1ACSL6MAOBALDH2MAOA
SCHEMBL10454211 0.96 ACSL1 (0.44) ACSL1ACSL6MAOBALDH2HRH3
SCHEMBL10452909 0.95 ACSL1 (0.45) ACSL1ACSL6MAOBALDH2HRH3
SCHEMBL10454213 0.94 ACSL1 (0.44) ACSL1ACSL6MAOBALDH2HRH3
SCHEMBL10453751 0.91 XDH (0.42) ACSL1ACSL6MAOBMAOAHRH3
SCHEMBL10454166 0.90 XDH (0.43) ACSL1ACSL6MAOBMAOAHRH3
SCHEMBL10454198 0.90 XDH (0.45) ACSL1ACSL6MAOBALDH2HRH3
SCHEMBL10453752 0.89 XDH (0.42) ACSL1ACSL6MAOBMAOAHRH3
SCHEMBL10453668 0.89 MAPT (0.43) ACSL1ACSL6MAOBALDH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902701-A Tetrazolyl substituted tricyclic compounds and pharmacological compositions thereof BURROUGHS WELCOME CO. (US) 1990-02-20 — — US disclosed
EP-0093381-B1 TRICYCLIC COMPOUNDS, PREPARATION, USE AND INTERMEDIATES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 — — EP disclosed
EP-0093381-A1 Tricyclic compounds, preparation, use and intermediates THE WELLCOME FOUNDATION LIMITED (GB) 1983-11-09 — — EP disclosed
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