SCHEMBL27496947

SCHEMBL27496947

CCCNc1c(N)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 1/20 0.53
▸ MAPT P10636 11/20 0.50
▸ MAPK1 P28482 9/20 0.50
▸ SMN1; SMN2 Q16637 9/20 0.50
▸ PKM P14618 3/20 0.50
▸ ADORA2A P29274 4/20 0.47
▸ CSNK1A1 P48729 2/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ CSNK1G1 Q9HCP0 2/20 0.47
▸ FGR P09769 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ HIPK2 Q9H2X6 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MMP14 P50281 3/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ L3MBTL1 Q9Y468 6/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 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
SCHEMBL2855205 0.88 MAPT (0.63) MAOAMAOBMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11262220 0.83 MAOA (0.50) MAOAMAOBMAPTMAPK1SMN1; SMN2
SCHEMBL31083344 0.82 MAPT (0.53) MAOAMAPTMAPK1SMN1; SMN2PKM
SCHEMBL3168294 0.79 MAPK1 (0.54) MAOAMAOBMAPTMAPK1SMN1; SMN2
SCHEMBL27658039 0.78 MAPT (0.43) MAOAMAPTMAPK1SMN1; SMN2ADORA2A
SCHEMBL28287515 0.78 ADORA2A (0.58) MAOAMAOBMAPTMAPK1SMN1; SMN2
SCHEMBL12310492 0.77 MAOA (0.50) MAOAMAOBMAPTMAPK1SMN1; SMN2
SCHEMBL11574146 0.77 MAPT (0.44) MAPTMAPK1SMN1; SMN2PKMKDM4E
Methylamine SCHEMBL10780560 0.77 ADORA2A (0.56) MAOAMAOBMAPTMAPK1SMN1; SMN2
SCHEMBL12310536 0.76 MAOA (0.46) MAOAMAOBMAPTMAPK1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1245150-C Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2006-03-15 — — CN disclosed
CN-1201719-C Specific amino silicone containing dye composition for body's cutin fiber OREAL (FR) 2005-05-18 — — CN disclosed
CN-1416798-A Specific amino silicone containing dye composition for body's cutin fiber OREAL (FR) 2003-05-14 — — CN disclosed
CN-1410047-A Composition containing specific single cation monoazo dye for dyeing human cutin fiber OREAL (FR) 2003-04-16 — — CN disclosed
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