SCHEMBL9824751

SCHEMBL9824751

Cc1c(N=C=O)c(N=C=O)c(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 2/20 0.32
CYP2A6 P11509 2/20 0.32
NPC1 O15118 2/20 0.32
AHR P35869 1/20 0.31
MAPT P10636 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
SCHEMBL11118968 0.90 CYP3A4 (0.45) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL17473057 0.85 CYP3A4 (0.45) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL1629250 0.81 CYP3A4 (0.41) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL1170136 0.80 GABRA1 (0.48) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL109502 0.78 CYP3A4 (0.47) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL29745624 0.77 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TRPA1TSHR
SCHEMBL9824695 0.77 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL665041 0.75 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL17473106 0.75 CYP1A2 (0.40) CYP3A4GABRA1GABRB2TRPA1CYP1A2
SCHEMBL2814949 0.75 CYP3A4 (0.44) CYP3A4GABRA1GABRB2TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
EP-4245783-A1 PREPREG, MOLDED ARTICLE AND EPOXY RESIN COMPOSITION Mitsubishi Chemical Corporation (JP) 2023-09-20 EP disclosed
CN-111094381-A Process for producing thermoplastic polyoxazolidone polymers 科思创德国股份有限公司 2020-05-01 CN disclosed
US-5031539-A Radiation curable rocket motor liner for case bonded solid propellant THIOKOL CORPORATION (US) 1991-07-16 US 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-4429634-A HYDROXY-TERMINATED POLYBUTADIENE BASED POLYURETHANE THIOKOL CORPORATION (US) 1984-02-07 US disclosed
US-4376193-A SEALANTS THIOKOL CORPORATION (US) 1983-03-08 US disclosed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US disclosed
EP-0010087-B1 PROCESS FOR CATALYTIC HARDENING OF POLYURETHANIC MOULDING MASSES Gambro Dialysatoren K.G. (DE) 1982-02-10 EP disclosed
EP-0010087-A1 Process for catalytic hardening of polyurethanic moulding masses. GAMBRO DIALYSATOREN (DE) 1980-04-30 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
WO-1979000154-A1 PROCESS FOR CATALYTIC HARDENING OF POLYURETHANIC MOULDING MASSES GAMBRO DIALYSATOREN (DE) 1979-04-05 WO 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-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed