SCHEMBL9765689

SCHEMBL9765689

CC(C)CN(O)c1cccc2c1C(=O)c1ccc(Cl)cc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
NSD2 O96028 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
S100A4 P26447 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PABPC1 P11940 2/20 0.43
HSP90AA1 P07900 1/20 0.40
TTR P02766 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ELANE P08246 2/20 0.36
CTSG P08311 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL9765744 0.87 MAPT (0.58) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL10482980 0.82 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9358215 0.76 MAPT (0.42) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL4732623 0.72 MAPT (0.62) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9391303 0.72 KMT2A (0.62) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL10782025 0.72 MAOA (0.63) MAPTALDH1A1TDP1MAPK1LMNA
SCHEMBL6906411 0.72 S100A4 (0.61) MAPTALDH1A1MAPK1NSD2S100A4
SCHEMBL6899117 0.72 S100A4 (0.61) MAPTALDH1A1MAPK1NSD2S100A4
SCHEMBL31375388 0.72 S100A4 (0.61) MAPTALDH1A1MAPK1NSD2S100A4
SCHEMBL29339249 0.72 EGFR (0.55) MAPTALDH1A1TDP1EGFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992569-A Reacting substituted aminoanthraquinone with malodinitrile in inert solvent in presence of titanium tetrachloride and a tert iary-amine; textile dye CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed