SCHEMBL542562

SCHEMBL542562

CCOc1cc(N=C=O)c(OCC)cc1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 4/20 0.37
TRPA1 O75762 1/20 0.37
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL9623392 0.94 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL406943 0.91 GABRA1 (0.38) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL10533157 0.89 ALDH1A1 (0.37) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL9446500 0.89 ALDH1A1 (0.37) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL6371515 0.86 KDM4E (0.39) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL11589247 0.85 ALDH1A1 (0.34) CYP3A4ALDH1A1HPGDTDP1GABRA1
SCHEMBL2157401 0.83 ALDH1A1 (0.67) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL3147920 0.82 CYP3A4 (0.40) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL166652 0.82 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1TSHR
SCHEMBL6721254 0.82 KDM4E (0.44) CYP3A4ALDH1A1HPGDTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 US claimed
US-4983569-A Color-forming layer comprising a fluorene dye chromogen, a developer, an isocyanate and an imino compound; infrared absorption; storage stability; colorfastness MITSUBISHI PAPER MILLS (JP) 1991-01-08 US claimed
US-4880767-A COLOR FORMING SYSTEMS, FLUORENE DYES, DYE DEVELOPERS MITSUBISHI PAPER MILLS (JP) 1989-11-14 US claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
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
EP-0025272-A1 Isocyanato-terminated polysulfide polymers and processes for their preparation THIOKOL CORPORATION (US) 1981-03-18 EP 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