SCHEMBL13610418

SCHEMBL13610418

Bc1ccc2nc(-c3ccccc3)ncc2c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.52
▸ MAOB P27338 4/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ CYP1A2 P05177 2/20 0.44
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ TLR9 Q9NR96 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
SCHEMBL11209031 0.79 MAOA (0.52) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL29927997 0.79 NPC1 (0.53) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3191937 0.79 TLR9 (0.57) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL1822333 0.79 MAOA (0.52) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL17691569 0.79 MAOA (0.58) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12428927 0.79 CYP1A2 (0.63) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL14314827 0.78 MAOA (0.53) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL713218 0.77 CYP1A2 (0.66) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL31325779 0.77 CYP1A2 (0.66) MAOAMAOBNPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL29085625 0.76 CYP1A2 (0.64) MAOAMAOBNPC1RAB9ASMN1; SMN2

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
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