SCHEMBL2638876

SCHEMBL2638876

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
MIF P14174 2/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL692188 0.81 CYP1A2 (0.33) CYP1A2CYP2D6MIF
Water SCHEMBL11441164 0.79 CYP2D6 (0.33) CYP1A2CYP2D6MIF
SCHEMBL18091134 0.71 MAPK1 (0.39) MAPTKMT2AMAPK1CYP2C19HIF1A
SCHEMBL109897 0.71 MAPK1 (0.39) MAPTKMT2AMAPK1CYP2C19HIF1A
SCHEMBL2068288 0.71 MAPK1 (0.39) MAPTKMT2AMAPK1CYP2C19HIF1A
SCHEMBL28614158 0.71 CYP2D6 (0.40) CYP1A2CYP2D6MAPTKMT2AMAPK1
SCHEMBL3858326 0.71 MAPK1 (0.35) CYP1A2CYP2D6MAPTKMT2AMAPK1
SCHEMBL1556686 0.68 KMT2A (0.41) CYP1A2CYP2D6MAPTKMT2AMAPK1
SCHEMBL11257453 0.68 TSHR (0.41) CYP1A2MAPTKMT2AMAPK1CYP2C19
SCHEMBL5246503 0.68 KMT2A (0.41) CYP1A2CYP2D6MAPTKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791042-B2 2011-10-12 JP claimed
EP-1569512-A2 PARTICULATE SUSPENSIONS Syngenta Limited (GB) 2005-09-07 EP claimed
WO-2004052099-A2 PARTICULATE SUSPENSIONS SYNGENTA LIMITED (GB) 2004-06-24 WO claimed
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
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
EP-1174477-A1 ANTHRAQUINONE COMPOUND AND WATER-BASED INK-JET RECORDING INK CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-01-23 EP 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