SCHEMBL11018830

SCHEMBL11018830

C#CCOc1ccc(-c2nc3cc(N)ccc3[nH]2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.44
▸ MAOB P27338 6/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ AMY1A P0DUB6 3/20 0.38
▸ TOP1 P11387 1/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAOA P21397 4/20 0.38
▸ ACHE P22303 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
SCHEMBL11018835 0.92 MEN1 (0.47) PDE2AMAOBMEN1NPC1TP53
SCHEMBL11017854 0.91 MAOB (0.43) MAOBMEN1NPC1TP53PKM
SCHEMBL11018202 0.85 PDE2A (0.43) PDE2AMAOBAMY1ATOP1TOP2A
SCHEMBL11020236 0.85 CHEK2 (0.48) PDE2A
SCHEMBL11019245 0.84 CHEK2 (0.44) PDE2ANPC1TP53POLBHPGD
SCHEMBL9634540 0.83 PDE5A (0.47) PDE2AMAOBMEN1HPGDKMT2A
SCHEMBL11036642 0.83 PDE2A (0.41) PDE2AAMY1ATOP1TOP2APDE5A
SCHEMBL11018765 0.83 SCD (0.41) PDE2AMAOBNPC1PKMHPGD
SCHEMBL11020385 0.83 AMY1A (0.50) PDE2AMEN1NPC1KMT2AALDH1A1
SCHEMBL10733841 0.83 PDE2A (0.46) PDE2AMAOBMEN1HPGDKMT2A

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-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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