SCHEMBL13610740

SCHEMBL13610740

Cc1cn(-c2ccc3nc(-c4ccc(O)c(O)c4)ncc3c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.71
MAOB P27338 10/20 0.71
JAK3 P52333 1/20 0.39
ALPL P05186 2/20 0.37
PLAA Q9Y263 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALPG P10696 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
CASP6 P55212 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL1830929 0.83 MAOA (0.78) MAOAMAOBPSEN1PSEN2APH1B
SCHEMBL729786 0.83 MAOA (1.00) MAOAMAOBCYP2E1CYP2A6NPC1
SCHEMBL727784 0.81 MAOA (1.00) MAOAMAOBPSEN1PSEN2APH1B
SCHEMBL13674803 0.81 MAOA (0.74) MAOAMAOBPSEN1PSEN2APH1B
SCHEMBL1903038 0.80 MAOA (1.00) MAOAMAOBPOLB
SCHEMBL1840202 0.80 MAOA (0.71) MAOAMAOB
SCHEMBL1899267 0.79 MAOA (0.71) MAOAMAOBCYP2E1CYP2A6
SCHEMBL728231 0.79 MAOA (0.78) MAOAMAOBPSEN1PSEN2APH1B
SCHEMBL12669488 0.73 MAOA (0.55) MAOAMAOBCYP2E1CYP2A6PSEN1
SCHEMBL1828774 0.73 MAOA (1.00) MAOAMAOBPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315588-B1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM SPA (IT) 2012-12-19 EP disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 WO disclosed