SCHEMBL442008

SCHEMBL442008

CC[N]c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 2/20 0.43
CYP2C9 P11712 1/20 0.42
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
HSD11B1 P28845 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
PABPC1 P11940 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
EBP Q15125 1/20 0.37

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
SCHEMBL5982449 0.83 TSHR (0.41) TSHRACHECYP2C9ESR1ESR2
SCHEMBL3947464 0.81 TRPA1 (0.39) TSHRACHECYP2C9ESR1ESR2
SCHEMBL4791497 0.76 ALPL (0.38) TSHRACHECYP2C9ESR1ESR2
SCHEMBL9251633 0.75 CYP2C9 (0.42) TSHRACHECYP2C9ESR1ESR2
SCHEMBL11140166 0.75 NOS2 (0.39) TSHRACHECYP2C9ESR1ESR2
SCHEMBL5911059 0.74 ALPL (0.38) TSHRACHECYP2C9ESR1ESR2
SCHEMBL5580251 0.73 L3MBTL1 (0.54) TSHRCYP2C9SIGMAR1SMN1; SMN2GRIN2D
SCHEMBL5370457 0.73 MAPT (0.54) TSHRTP53SMN1; SMN2MEN1ALOX15
SCHEMBL5455027 0.73 HSD11B1 (0.39) ACHEHSD11B1SMN1; SMN2MEN1KMT2A
SCHEMBL4243231 0.73 SIGMAR1 (0.44) TSHRCYP2C9SIGMAR1TP53GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218206-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2022-03-04 CN claimed
EP-0087709-A1 N,N',N\"-triaryl-1,2,3-triaminopropane derivatives, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-07 EP claimed
CN-109384982-B Modified conjugated diene polymer composition and tire 旭化成株式会社 2020-11-17 CN disclosed
US-9112094-B2 Copper tin sulfide and copper zinc tin sulfide ink compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-18 US disclosed
US-20150118144-A1 DISPERSIBLE METAL CHALCOGENIDE NANOPARTICLES E I DU PONT NEMOURS AND COMPANY (US) 2015-04-30 US disclosed
US-20140144500-A1 SEMICONDUCTOR INKS FILMS, COATED SUBSTRATES AND METHODS OF PREPARATION E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-29 US disclosed
US-20130264526-A1 MOLECULAR PRECURSORS AND PROCESSES FOR PREPARING COPPER INDIUM GALLIUM SULFIDE/SELENIDE COATINGS AND FILMS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130233202-A1 INKS AND PROCESSES FOR PREPARING COPPER INDIUM GALLIUM SULFIDE/SELENIDE COATINGS AND FILMS EI DU PONT DE NEMOURS AND COMPANY (US) 2013-09-12 US disclosed
US-20130095602-A1 ATYPICAL KESTERITE COMPOSITIONS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-18 US disclosed
US-8366975-B2 Atypical kesterite compositions E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-05 US disclosed
WO-2012075267-A1 INKS AND PROCESSES FOR PREPARING COPPER INDIUM GALLIUM SULFIDE/SELENIDE COATINGS AND FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-07 WO disclosed
EP-0260227-A1 Dioxazine reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1988-03-16 EP disclosed
EP-0234778-A2 Dioxazine compound having vinylsulfone type fiber reactive group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-02 EP disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed
US-4578457-A Reactive mono-azo dyes and the preparation and use thereof CIBA-GEIGY AG (CH) 1986-03-25 US disclosed
EP-0101665-A2 Reactive dyestuffs of the dioxazine series, their preparation and their use CIBA-GEIGY AG (CH) 1984-02-29 EP disclosed
EP-0087709-A1 N,N',N\"-triaryl-1,2,3-triaminopropane derivatives, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-07 EP disclosed
EP-0073178-A1 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-02 EP disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 US disclosed
EP-0034743-A1 Benzoxazoles, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-09-02 EP disclosed