SCHEMBL10339614

SCHEMBL10339614

Nc1ccccc1Sc1cccc2c1C(=O)c1c(Sc3ccccc3N)cccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ MAPK1 P28482 4/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ NSD2 O96028 1/20 0.64
▸ ADORA2A P29274 2/20 0.56
▸ PTPRC P08575 1/20 0.52
▸ PDE7A Q13946 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MAOA P21397 3/20 0.44
▸ MAOB P27338 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FGR P09769 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ CSNK1A1 P48729 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.42

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
SCHEMBL1683323 0.95 ADORA2A (0.65) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL6366580 0.95 ADORA2A (0.58) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL11581942 0.85 MAPT (0.84) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL11421896 0.83 MAPT (0.69) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL10444623 0.81 KDM4E (0.50) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL10444670 0.81 MAPK1 (0.50) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL10444619 0.81 SLC6A4 (0.51) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL11579534 0.79 MAPT (0.75) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL29365916 0.78 MAPT (1.00) MAPTMAPK1KDM4ENSD2ADORA2A
SCHEMBL3459973 0.78 MAPT (1.00) MAPTMAPK1KDM4ENSD2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2238058-A — — None — — JP disclosed
JP-H02238058-A ANTHRAQUINONE-BASED COMPOUND, POLYMERIZABLE COLORING MATTER MONOMER AND RESIN DERIVED FROM THE SAME COMPOUND AND COLOR TONER COMPOSITION MITSUI TOATSU CHEM INC 1990-09-20 — — JP disclosed
EP-0371782-A2 Anthraquinone compound, polymerizable dyestuff monomer derived therefrom and resin and color toner composition MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-06 — — EP disclosed
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