SCHEMBL8673307

SCHEMBL8673307

O=C1c2ccccc2C(=O)c2c(Nc3nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(Nc4cccc5c4C(=O)c4ccccc4C5=O)n3)cccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
MAPK1 P28482 5/20 0.61
L3MBTL1 Q9Y468 4/20 0.61
EGFR P00533 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
PABPC1 P11940 2/20 0.61
RAB9A P51151 1/20 0.61
CYP1A2 P05177 3/20 0.55
MAOA P21397 3/20 0.54
GNG2 P59768 1/20 0.51
GNB1 P62873 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
NSD2 O96028 1/20 0.47
ADORA2A P29274 1/20 0.47
POLB P06746 2/20 0.44

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
SCHEMBL3256268 0.91 MAPK1 (0.55) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL11207605 0.90 MAPK1 (0.54) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL918691 0.89 MAPT (0.50) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL30153683 0.89 MAPT (0.50) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL29453517 0.89 MAPT (0.50) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL10809035 0.89 TSHR (0.54) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL10807393 0.89 MAPT (0.53) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL11146933 0.87 CDK4 (0.54) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL42481 0.87 MAPT (0.71) MAPTMAPK1L3MBTL1EGFRSMN1; SMN2
SCHEMBL29438168 0.87 MAPT (0.71) MAPTMAPK1L3MBTL1EGFRSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10332922-A None JP disclosed
JP-H10332922-A COLOR FILTER AND ITS PRODUCTION SONY CORP 1998-12-18 JP disclosed
US-4492790-A Vat dyestuffs of the trisanthraquinonylaminotriazine series BAYER AKTIENGESELLSCHAFT (DE) 1985-01-08 US disclosed
EP-0057358-B1 PROCESS FOR THE PREPARATION OF ANTHRAQUINONE VAT DYES BAYER AG (DE) 1983-10-12 EP disclosed
EP-0057381-A2 Trisanthraquinonylaminotriazine compounds as well as their preparation and application as vat dyes BAYER AG (DE) 1982-08-11 EP disclosed
EP-0057358-A2 Process for the preparation of anthraquinone vat dyes BAYER AG (DE) 1982-08-11 EP disclosed
EP-0057375-A2 Vat dyes of the trisanthraquinonylaminotriazine series as well as their preparation BAYER AG (DE) 1982-08-11 EP disclosed