SCHEMBL9635332

SCHEMBL9635332

O=C1C(=Cc2ccncc2)COc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 1.00
MIF P14174 2/20 0.70
MEN1 O00255 1/20 0.70
ACHE P22303 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MAPT P10636 1/20 0.64
ATM Q13315 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP19A1 P11511 4/20 0.62
TNF P01375 2/20 0.62
MAOA P21397 1/20 0.61
PKM P14618 1/20 0.61
CYP11B2 P19099 1/20 0.61
MAPK1 P28482 1/20 0.61

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
SCHEMBL9635329 1.00 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL979718 0.88 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL31179771 0.88 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL29595747 0.88 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL979717 0.88 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL13708801 0.85 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL18836413 0.85 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A
SCHEMBL13708805 0.83 MAOB (0.71) MAOBMIFMEN1ACHEKMT2A
SCHEMBL25502260 0.82 MAOB (0.72) MAOBMIFMEN1ACHEKMT2A
SCHEMBL13299560 0.79 MAOB (1.00) MAOBMIFMEN1ACHEKMT2A

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
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed