SCHEMBL9356907

SCHEMBL9356907

N#Cc1c2c(c3ccccc3c1C#N)C(=O)c1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.46
BCHE P06276 1/20 0.46
MAOA P21397 2/20 0.44
SQOR Q9Y6N5 2/20 0.41
ALDH1A1 P00352 7/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
MAP3K9 P80192 2/20 0.36
MAP3K11 Q16584 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 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
SCHEMBL260885 0.79 MAOA (0.55) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL10944994 0.78 MAOA (0.53) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL27362730 0.77 MAOA (0.44) CES1BCHEMAOASQORALDH1A1
SCHEMBL9811799 0.74 MAOA (0.48) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL1985142 0.74 MAOA (0.48) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL28571180 0.72 MAOA (0.55) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL29761258 0.69 SQOR (0.39) MAOASQORALDH1A1CA1CA2
SCHEMBL10756250 0.69 MAOA (0.55) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL10703055 0.68 MAOA (0.59) CES1BCHEMAOAALDH1A1CYP1A2
SCHEMBL8012706 0.68 MAOA (0.53) CES1BCHEMAOAALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049161-A Mixtures of dicyanobenzanthrone compounds CIBA-GEIGY CORPORATION (US) 1991-09-17 US claimed
EP-0346280-B1 Dicyanobenzanthrone compounds CIBA GEIGY AG (CH) 1994-11-09 EP disclosed
US-5049161-A Mixtures of dicyanobenzanthrone compounds CIBA-GEIGY CORPORATION (US) 1991-09-17 US disclosed
US-5049161-A Mixtures of dicyanobenzanthrone compounds CIBA-GEIGY CORPORATION (US) 1991-09-17 US disclosed
US-5049161-A Mixtures of dicyanobenzanthrone compounds CIBA-GEIGY CORPORATION (US) 1991-09-17 US disclosed
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
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
US-4895781-A BENZANTHRONE OR DICYANOMETHYLIDENE BENZ(DE)ANTHRACENE DERIVATIVES COUPLED TO A PHENOLIC RESIDUE; PHOTOSENSITIVITY; DURABILITY; LASER PRINTING CANON KABUSHIKI KAISHA (JP) 1990-01-23 US disclosed
EP-0346280-A2 Dicyanobenzanthrone compounds CIBA-GEIGY AG (CH) 1989-12-13 EP disclosed
US-4801406-A DYES FOR POLYESTERS CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
US-4801406-A DYES FOR POLYESTERS CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed
EP-0238443-A2 Dicyanobenzanthrone compounds CIBA-GEIGY AG (CH) 1987-09-23 EP disclosed