SCHEMBL542663

SCHEMBL542663

COc1cc(N=C=O)c(OC)cc1N=C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.68
ALDH1A1 P00352 4/20 0.68
TDP1 Q9NUW8 2/20 0.68
HPGD P15428 2/20 0.68
TRPA1 O75762 1/20 0.41
TSHR P16473 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAPT P10636 2/20 0.32
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
PMM2 O15305 1/20 0.31
G6PD P11413 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6372278 0.96 CYP3A4 (0.63) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL8163649 0.93 CYP3A4 (0.66) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL9825110 0.90 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL28014621 0.88 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL3993039 0.88 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL7159670 0.88 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL11591392 0.87 CYP3A4 (0.54) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL6372027 0.86 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL30313227 0.86 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1HPGDTRPA1
SCHEMBL11589766 0.85 CYP3A4 (0.53) CYP3A4ALDH1A1TDP1HPGDTRPA1

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635662-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2009-12-22 US claimed
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
JP-59135189-A None JP disclosed
EP-3031611-B1 THERMAL RECORDING MATERIAL MITSUBISHI PAPER MILLS LTD (JP) 2017-09-27 EP disclosed
EP-3031611-A1 THERMAL RECORDING MATERIAL Mitsubishi Paper Mills Limited (JP) 2016-06-15 EP disclosed
EP-2554392-B1 HEAT-SENSITIVE RECORDING MATERIAL AND METHOD FOR MANUFACTURING THE SAME MITSUBISHI PAPER MILLS LTD (JP) 2016-05-11 EP disclosed
US-8980790-B2 Thermosensitive multiple recording sheet and method for producing the same OJI PAPER CO., LTD. (JP) 2015-03-17 US disclosed
EP-1260498-B1 NOVEL COLOR FORMER AND RECORDING MATERIAL CHEMIPRO KASEI KAISHA LTD (JP) 2014-07-09 EP disclosed
US-8623785-B2 Thermal recording material and method for producing the same MITSUBISHI PAPER MILLS LIMITED (JP) 2014-01-07 US disclosed
EP-2414173-B1 HEAT-SENSITIVE RECORDING MATERIAL MITSUBISHI HITEC PAPER EUROPE (DE) 2013-09-11 EP disclosed
US-8470734-B2 Thermosensitive recording material MITSUBISHI HITEC PAPER EUROPE GMBH (DE) 2013-06-25 US disclosed
US-4200762-A POLYETHYLENE ADIPATE ENCAPPED WITH TOLUENE DIISOCYANATE MODIFIED WITH BENZOIN THIOKOL CORPORATION (US) 1980-04-29 US disclosed
US-4184031-A Control of cure rate of polyurethane resins THIOKOL CORPORATION (US) 1980-01-15 US disclosed
US-4182848-A POLYTHIOL AND POLYENE THIOKOL CORPORATION (US) 1980-01-08 US disclosed
US-4157421-A POLYTHIOETHERS THIOKOL CORPORATION (US) 1979-06-05 US disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4131499-A BINDER OF HYDROXY OR CARBOXY CONTAINING PERFLUOROCARBON POLYMERS THIOKOL CORPORATION (US) 1978-12-26 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed
US-4031035-A Polyurethane-amide resins based upon isocyanate terminated prepolymers of bis-(2-hydroxyethyl)terephthalate CELANESE CORPORATION (US) 1977-06-21 US disclosed
US-3969394-A Polyurethanes CELANESE CORPORATION (US) 1976-07-13 US disclosed