SCHEMBL7549529

SCHEMBL7549529

O=C(O)CN1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
AKR1B1 P15121 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FDPS P14324 1/20 0.46
WDR5 P61964 1/20 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
SCHEMBL1413234 0.88 CA12 (0.45) CA12CA9AKR1B1KDM4EMEN1
SCHEMBL4997234 0.85 MEN1 (0.49) KDM4EMEN1ALDH1A1CYP1A2MAPT
SCHEMBL1757427 0.84 CASP3 (0.44) CA12CA9AKR1B1KDM4EMEN1
SCHEMBL11877346 0.83 DNMT1 (0.46) CA12CA9MEN1ALDH1A1CYP1A2
SCHEMBL6061073 0.81 PIN1 (0.62) KDM4EALDH1A1CYP1A2MAPTKMT2A
SCHEMBL4997819 0.80 HEXA (0.55) KDM4EMEN1ALDH1A1CYP1A2MAPT
SCHEMBL12235635 0.80 CYP1B1 (0.53) KDM4EMEN1ALDH1A1CYP1A2MAPT
SCHEMBL9327695 0.80 DNMT1 (0.46) CA12MEN1ALDH1A1CYP1A2MAPT
SCHEMBL10795639 0.80 DNMT1 (0.46) CA12KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL4187946 0.78 KDM4E (0.51) KDM4EMEN1ALDH1A1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1217043-A2 Process for the preparation of perylene pigments Bayer Corporation (US) 2002-06-26 EP claimed
US-6403797-B1 REACTING MIXTURE COMPRISING PERYLENE TETRACARBOXYLIC COMPOUND, AMPHOTERIC SURFACTANT, AND EXCESS AMMONIA OR PRIMARY AMINE TO FORM INTERMEDIATE, HEATING IN PRESENCE OF NON-PIGMENTARY CYCLIC ANHYDRIDE OR IMIDE, COLLECTING PIGMENT BAYER CORPORATION 2002-06-11 US claimed
CN-1309788-C Preparation of perylenic pigments BAYER CORP (US) 2007-04-11 CN disclosed
CN-1363633-A Preparation of perylenic pigments BAYER AG (US) 2002-08-14 CN disclosed
EP-1217043-A2 Process for the preparation of perylene pigments Bayer Corporation (US) 2002-06-26 EP disclosed
US-6403797-B1 REACTING MIXTURE COMPRISING PERYLENE TETRACARBOXYLIC COMPOUND, AMPHOTERIC SURFACTANT, AND EXCESS AMMONIA OR PRIMARY AMINE TO FORM INTERMEDIATE, HEATING IN PRESENCE OF NON-PIGMENTARY CYCLIC ANHYDRIDE OR IMIDE, COLLECTING PIGMENT BAYER CORPORATION 2002-06-11 US disclosed