SCHEMBL1493025

SCHEMBL1493025

O=C=Nc1cc(N=C=O)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 5/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TSHR P16473 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
SCHEMBL1457032 0.92 TDP1 (0.56) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL1493000 0.92 TDP1 (0.48) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9730127 0.84 CYP3A4 (0.50) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL78958 0.84 CYP3A4 (0.50) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9836976 0.84 TDP1 (0.44) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL6295742 0.83 MAPK1 (0.42) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL11633562 0.83 TDP1 (0.38) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL28565939 0.81 TDP1 (0.41) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL7893961 0.81 TDP1 (0.46) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL11878967 0.81 TDP1 (0.37) TDP1MAPK1CYP3A4TRPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9153843-B2 Negative electrode including solid electrolyte interface coating containing crosslinked isocyanate compound, nonaqueous electrolyte secondary battery and method for manufacturing the same SONY CORPORATION (JP) 2015-10-06 US disclosed
US-20110052953-A1 NEGATIVE ELECTRODE, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND METHOD FOR MANUFACTURING THE SAME SONY CORPORATION (JP) 2011-03-03 US disclosed
EP-0664014-B1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL NV (NL) 1998-08-19 EP disclosed
EP-0664014-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS Akzo Nobel N.V. (NL) 1995-07-26 EP disclosed
WO-1994008269-A1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL N.V. (NL) 1994-04-14 WO disclosed
US-4803019-A REACTING ISOCYANATE CURING AGENT AND BLOCKING AGENT THEN CURING PREPOLYMER MORTON THIOKOL, INC. (US) 1989-02-07 US disclosed
EP-0025272-B1 ISOCYANATO-TERMINATED POLYSULFIDE POLYMERS AND PROCESSES FOR THEIR PREPARATION THIOKOL CORPORATION (US) 1984-04-11 EP disclosed
US-4376193-A SEALANTS THIOKOL CORPORATION (US) 1983-03-08 US disclosed
EP-0025272-A1 Isocyanato-terminated polysulfide polymers and processes for their preparation THIOKOL CORPORATION (US) 1981-03-18 EP disclosed
US-4238581-A Urethane-coupled block polymers of quinone-coupled polyphenylene oxides GENERAL ELECTRIC COMPANY (US) 1980-12-09 US disclosed
US-4238580-A Process of forming urethane-coupled polymers of quinone-coupled polyphenylene oxides GENERAL ELECTRIC COMPANY (US) 1980-12-09 US disclosed
US-4238585-A Aryl amine terminated polysulfide polymers, related compounds and processes for their preparation THIOKOL CORPORATION (US) 1980-12-09 US disclosed
US-4184031-A Control of cure rate of polyurethane resins THIOKOL CORPORATION (US) 1980-01-15 US disclosed
US-4136092-A SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES THIOKOL CORPORATION (US) 1979-01-23 US disclosed
US-4110135-A CURED HYDROXY TERMINATED POLYBUTADIENE BASED POLYURETHANE BOUND GRAIN THIOKOL CORPORATION (US) 1978-08-29 US disclosed