SCHEMBL8700898

SCHEMBL8700898

COc1cc2c(C)cc(=O)[nH]c2cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 6/20 0.54
CYP19A1 P11511 4/20 0.54
KDM4E B2RXH2 6/20 0.53
TNKS2 Q9H2K2 2/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
GAA P10253 4/20 0.49
GLA P06280 3/20 0.49
HSD17B10 Q99714 2/20 0.49
AR P10275 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 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
SCHEMBL26607699 0.93 KDM4E (0.53) NQO2CYP19A1KDM4ETNKS2ALDH1A1
SCHEMBL19146396 0.86 NQO2 (0.60) NQO2CYP19A1KDM4ETNKS2ALDH1A1
SCHEMBL8705845 0.80 AR (0.68) KDM4ETNKS2ALDH1A1HPGDGAA
SCHEMBL12047270 0.80 NQO2 (0.54) NQO2CYP19A1KDM4ETNKS2ALDH1A1
SCHEMBL5473245 0.80 NQO2 (0.54) NQO2CYP19A1KDM4ETNKS2ALDH1A1
SCHEMBL11308994 0.79 TNKS2 (0.48) NQO2KDM4ETNKS2ALDH1A1HPGD
SCHEMBL17479604 0.77 AR (0.58) KDM4ETNKS2ALDH1A1HPGDGAA
SCHEMBL3828318 0.77 KDM4E (0.75) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL16896940 0.77 GRIN2D (0.57) NQO2CYP19A1KDM4ETNKS2ALDH1A1
SCHEMBL1583043 0.76 TP53 (0.54) KDM4ETNKS2ALDH1A1HPGDGAA

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-4997920-A Dyeing polyolefins CIBA-GEIGY CORPORATION (US) 1991-03-05 US claimed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US claimed
US-5817832-A Blue diketopyrrolopyrrole pigments CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-10-06 US disclosed
US-4997920-A Dyeing polyolefins CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
US-4639477-A AZO DYES CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
US-4116959-A ISOINDOLINE PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US disclosed
US-3963693-A MONOAZO DYES, RED TO YELLOW SHADES, POLYCARBONATES, POLYSTYRENE, POLYVINYL CHLORIDE CIBA-GEIGY CORPORATION (US) 1976-06-15 US disclosed