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Sugi Predict / Compounds / SCHEMBL16523

SCHEMBL16523

SCHEMBL16523

COC(=O)c1ccc(C(=O)OC)c(N/N=C(\C(C)=O)C(=O)Nc2ccc(NC(=O)/C(=N/Nc3cc(C(=O)OC)ccc3C(=O)OC)C(C)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 17/20 0.52
▸ ALDH1A1 P00352 15/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ HPGD P15428 5/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ATM Q13315 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL10052753 1.00 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL12299544 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL15246775 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL12393179 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL14960667 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL12677172 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL13092164 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL13111768 0.95 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL45612 0.94 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDCASP1
SCHEMBL765445 0.94 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDCASP1

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-9298118-B2 Azo compound, pigment dispersant containing the azo compound, pigment composition, pigment dispersion and toner CANON KABUSHIKI KAISHA (JP) 2016-03-29 — — US disclosed
EP-2609158-B1 AZO COMPOUND, AND PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER INCLUDING THE AZO COMPOUND CANON KK (JP) 2015-10-14 — — EP disclosed
US-9097999-B2 Polyester, pigment composition, and toner CANON KABUSHIKI KAISHA (JP) 2015-08-04 — — US disclosed
US-20150004538-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER CANON KABUSHIKI KAISHA (JP) 2015-01-01 — — US disclosed
WO-2013129696-A1 AZO COMPOUND, PIGMENT DISPERSANT CONTAINING THE AZO COMPOUND, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER CANON KABUSHIKI KAISHA (JP) 2013-09-06 — — WO disclosed
US-20130130164-A1 POLYESTER, PIGMENT COMPOSITION, AND TONER CANON KABUSHIKI KAISHA (JP) 2013-05-23 — — US disclosed
US-8367288-B2 Yellow toner CANON KABUSHIKI KAISHA (JP) 2013-02-05 — — US disclosed
US-8367288-B2 Yellow toner CANON KABUSHIKI KAISHA (JP) 2013-02-05 — — US disclosed
US-20120231388-A1 AZO COMPOUND, AND PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER INCLUDING THE AZO COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-09-13 — — US disclosed
WO-2012026607-A1 AZO COMPOUND, AND PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER INCLUDING THE AZO COMPOUND CANON KABUSHIKI KAISHA (JP) 2012-03-01 — — WO disclosed
US-20100273101-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2010-10-28 — — US disclosed
US-20100273101-A1 YELLOW TONER CANON KABUSHIKI KAISHA (JP) 2010-10-28 — — US disclosed