SCHEMBL9765744

SCHEMBL9765744

CC(C)CN(O)c1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
ALDH1A1 P00352 6/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
MAPK1 P28482 4/20 0.58
EGFR P00533 2/20 0.58
NSD2 O96028 1/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PABPC1 P11940 3/20 0.55
KDM4E B2RXH2 2/20 0.48
MAOA P21397 2/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 5/20 0.42
KEAP1 Q14145 2/20 0.42
ADORA2A P29274 1/20 0.42
NPC1 O15118 3/20 0.42
PTK2B Q14289 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
SCHEMBL9358215 0.89 MAPT (0.42) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9765689 0.87 MAPT (0.44) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL4732623 0.84 MAPT (0.62) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9391303 0.84 KMT2A (0.62) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL10482906 0.79 ALDH1A1 (0.55) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL9393651 0.78 MAPT (0.67) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL7122665 0.77 MEN1 (0.54) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL7170509 0.76 L3MBTL1 (0.70) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL8855198 0.76 MEN1 (0.56) MAPTALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL11316550 0.75 MAPT (0.62) MAPTALDH1A1L3MBTL1TDP1MAPK1

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