SCHEMBL5848206

SCHEMBL5848206

O=C=Nc1ccc(C(c2ccccc2)c2ccc(N=C=O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ CRHBP P24387 2/20 0.33
▸ CRHR2 Q13324 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ TSHR P16473 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ STAT6 P42226 1/20 0.31
▸ HIF1A Q16665 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
SCHEMBL124224 0.79 CYP3A4 (0.49) CYP3A4TRPA1CRHBPCRHR2MEN1
SCHEMBL29389795 0.79 CYP3A4 (0.49) CYP3A4TRPA1CRHBPCRHR2MEN1
SCHEMBL295315 0.78 CYP3A4 (0.47) CYP3A4TRPA1KMT2ATSHRCYP1A2
SCHEMBL9840070 0.77 CYP1A2 (0.40) CYP3A4MEN1KMT2ANPC1RAB9A
SCHEMBL5693948 0.75 ALDH1A1 (0.37) CYP3A4TRPA1CRHBPCRHR2MEN1
SCHEMBL9557695 0.74 MAPT (0.51) CYP3A4MEN1KMT2ANPC1RAB9A
SCHEMBL10718338 0.74 CYP3A4 (0.47) CYP3A4TRPA1MEN1KMT2ANPC1
SCHEMBL2909913 0.73 CYP3A4 (0.42) CYP3A4TRPA1TSHRALDH1A1CYP1A2
SCHEMBL16593796 0.73 MAPK1 (0.43) CYP3A4TRPA1TSHRCYP1A2MAPK1
SCHEMBL4139131 0.72 CYP3A4 (0.46) CYP3A4TRPA1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261288-B2 Allyl functional urethane oligomers and related compositions for coatings and adhesives ARKEMA FRANCE (FR) 2022-03-01 — — US disclosed
US-20200392280-A1 ALLYL FUNCTIONAL URETHANE OLIGOMERS AND RELATED COMPOSITIONS FOR COATINGS AND ADHESIVES ARKEMA FRANCE (FR) 2020-12-17 — — US disclosed
US-8709694-B2 Polyurethane resin, toner for developing electrostatic charge image, electrostatic charge image developer, toner cartridge, process cartridge, image forming apparatus, and image forming method FUJI XEROX CO., LTD. (JP) 2014-04-29 — — US disclosed
US-20130236831-A1 POLYURETHANE RESIN, TONER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE, ELECTROSTATIC CHARGE IMAGE DEVELOPER, TONER CARTRIDGE, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD FUJI XEROX CO., LTD. (JP) 2013-09-12 — — US disclosed
US-7105262-B2 Liquid developer SEIKO EPSON CORPORATION (JP) 2006-09-12 — — US disclosed
US-20050003293-A1 Liquid developer SEIKO EPSON CORPORATION 2005-01-06 — — 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-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-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
US-4086211-A Method of producing polyurethane products having an improved flex crack resistance BRIDGESTONE TIRE COMPANY LIMITED (JA) 1978-04-25 — — US disclosed
US-4085165-A ISOCYANATE PREPOLYMER, VINYL COMPOUND, POLYAMINE OR POLYETHER CURING AGENT BRIDGESTONE TIRE CO., LTD. (JA) 1978-04-18 — — US disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 — — US disclosed
US-4062825-A SILICA BRIDGESTONE TIRE COMPANY, LTD. (JA) 1977-12-13 — — US disclosed
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