SCHEMBL5892154

SCHEMBL5892154

CC(CCN=C=O)(N=C=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
NR3C2 P08235 1/20 0.31
KIF11 P52732 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9292949 0.83 CYP2C19 (0.35) CYP2C19HIF1ATAAR1NR3C2MAPT
SCHEMBL10193743 0.81 CYP2C19 (0.38) CYP2C19HIF1ATAAR1NR3C2KIF11
SCHEMBL692189 0.79 KIF11 (0.32) KIF11
SCHEMBL28027917 0.77 CYP2C19 (0.36) CYP2C19HIF1ATAAR1NR3C2MAPT
SCHEMBL31349244 0.77 KIF11 (0.35) CYP2C19HIF1AKIF11ALDH1A1
SCHEMBL18091134 0.74 MAPK1 (0.39) CYP2C19HIF1ATAAR1NR3C2MAPT
SCHEMBL11152541 0.73 KIF11 (0.34) KIF11
SCHEMBL7370956 0.73 ALDH1A1 (0.45) CYP2C19HIF1ATAAR1NR3C2MAPT
SCHEMBL4915895 0.72 ALDH1A1 (0.40) CYP2C19HIF1ATAAR1NR3C2MAPT
SCHEMBL7598482 0.72 MIF (0.33) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091261-B1 Yellow hue compound and aqueous ink for ink-jet recording system using the same MITSUI CHEMICALS, INC. (JP) 2006-08-15 US disclosed
EP-1174477-B1 ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND MITSUI CHEMICALS INC (JP) 2006-04-26 EP disclosed
CN-1239642-C Anthraquinone compound and aqueous ink for inkjet recording using the same MITSUI CHEMICALS INC (JP) 2006-02-01 CN disclosed
CN-1218001-C Yellow toner compound and aqueous ink for ink-jet recording apparatus using the same MITSUI CHEMICALS INC (JP) 2005-09-07 CN disclosed
CN-1653143-A Coating composition for tendon for prestressed concrete SHINKO WIRE CO LTD (JP) 2005-08-10 CN disclosed
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
US-6800674-B2 WATER RESISTANCE AND ALSO IN LIGHT FASTNESS AND COMPATIBILITY WITH A RESIN; STORAGE STABILITY; FOR FORMING HIGH-QUALITY UNBLOTTED IMAGE MITSUI CHEMICALS, INC. (JP) 2004-10-05 US disclosed
US-20030078318-A1 Anthraquinone compound and water-based ink-jet recording ink containing the compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
CN-1366543-A Anthraquinone compound and aqueous ink for inkjet recording using the same MITSUI CHEMICALS INC (JP) 2002-08-28 CN disclosed
EP-1174477-A1 ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-01-23 EP disclosed
CN-1322227-A Yellow toner compound and aqueous ink for ink-jet recording apparatus using the same MITSUI CHEMICALS INC (JP) 2001-11-14 CN disclosed
EP-1125990-A1 YELLOW COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2001-08-22 EP disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed
CN-1056859-C Composition for low-specific gravity urethane-base plastic lens, lens prepared therefrom, and process for preparing lens MITSUI TOATSU CHEMICALS (JP) 2000-09-27 CN disclosed
CN-1112136-A Composition for low-specific gravity urethane-base plastic lens, lens prepared therefrom, and process for preparing lens MITSUI TOATSU CHEMICALS (JP) 1995-11-22 CN disclosed
EP-0676428-A1 Composition for low-specific gravity urethane-base plastic lens MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-10-11 EP disclosed