SCHEMBL9431235

SCHEMBL9431235

COCCOc1ccc(OCc2ccccc2)cc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.54
▸ PARP10 Q53GL7 1/20 0.51
▸ PARP15 Q460N3 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL9430588 0.95 SIRT2 (0.51) SIRT2PARP10PARP15MAOBLRRK2
SCHEMBL15709261 0.87 PARP15 (0.60) SIRT2PARP10PARP15MAOBL3MBTL1
SCHEMBL9430649 0.84 MAOB (0.58) MAOBL3MBTL1LRRK2
SCHEMBL11282772 0.82 SIRT2 (0.53) SIRT2PARP10PARP15MAOBL3MBTL1
Hydrochloric Acid SCHEMBL320730 0.81 SIRT2 (0.52) SIRT2PARP10PARP15MAOBL3MBTL1
SCHEMBL9431017 0.80 MAOB (0.49) MAOBL3MBTL1LMNAKDM4EMEN1
SCHEMBL19068931 0.80 MAOB (0.51) MAOBL3MBTL1LMNAKDM4EMEN1
SCHEMBL4930554 0.80 PARP10 (0.60) SIRT2PARP10PARP15MAOBL3MBTL1
SCHEMBL12502510 0.80 KDM4E (0.51) SIRT2PARP10MAOBL3MBTL1LRRK2
SCHEMBL6140955 0.79 PARP15 (0.75) SIRT2PARP10PARP15MAOBLMNA

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-5347050-A Cardioselective adrenoreceptor blocking agents; prophylaxis and therapy for coronary diseases, glaucoma, migraine BERTHOLD RICHARD (CH) 1994-09-13 — — US disclosed
EP-0052072-B1 3-AMINOPROPOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1985-02-20 — — EP disclosed
US-4425362-A CARDIOVASCULAR DISORDERS, ADRENERGIC BLOCKING AGENTS SANDOZ LTD. (CH) 1984-01-10 — — US disclosed
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