SCHEMBL543250

SCHEMBL543250

Cc1cn(CCC#N)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.39
KDM4E B2RXH2 2/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 3/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 3/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PABPC1 P11940 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL27902514 0.81 KDM4E (0.36) CSNK2A1KDM4EHIF1ANPSR1TSHR
SCHEMBL11723584 0.81 CSNK2A1 (0.37) CSNK2A1KDM4EHIF1ANPSR1TSHR
SCHEMBL138437 0.80 CYP19A1 (0.40) CSNK2A1KDM4EHIF1ANPSR1TSHR
Ammonia Solution, Strong SCHEMBL28108009 0.79 CYP19A1 (0.40) CSNK2A1KDM4EHIF1ANPSR1TSHR
SCHEMBL11286963 0.78 PDE4A (0.35) CSNK2A1KDM4EHIF1ANPSR1TSHR
SCHEMBL10731033 0.76 BRD4 (0.42) KDM4ETSHRGAACYP1A2KMT2A
SCHEMBL8407037 0.75 ALDH1A1 (0.62) CYP1A2KMT2AALDH1A1LMNA
SCHEMBL584717 0.74 ALDH1A1 (0.33) TSHRCYP1A2ALDH1A1CYP2C9CYP2C19
Iodide SCHEMBL669031 0.74 GRM5 (0.36) NPSR1TSHRKMT2AALDH1A1LMNA
SCHEMBL26298801 0.74 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501788-A Synthesis method of N-cyanoethylimidazole compound 宁夏倬昱新材料科技有限公司 2021-10-15 CN disclosed
WO-2021059971-A1 EPOXY RESIN, EPOXY RESIN CURED PRODUCT, AND EPOXY RESIN COMPOSITION 国立大学法人横浜国立大学 2021-04-01 WO disclosed
US-10222511-B2 Optical article comprising a double-layer abrasion and scratch resistant coating and method for production thereof ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2019-03-05 US disclosed
US-20170003420-A1 OPTICAL ARTICLE COMPRISING A DOUBLE-LAYER ABRASION AND SCRATCH RESISTANT COATING AND METHOD FOR PRODUCTION THEREOF ESSILOR INTERNATIONAL (FR) 2017-01-05 US disclosed
EP-2092377-B1 OPTICAL ARTICLE COMPRISING A DOUBLE-LAYER ABRASION AND SCRATCH RESISTANT COATING AND METHOD FOR PRODUCTION THEREOF ESSILOR INT (FR) 2012-02-08 EP disclosed
US-20110058142-A1 Optical Article Comprising a Double-Layer Abrasion and Scratch Resistant Coating and Method for Production Thereof Essilor International (Compagnie Generale d'Otique (FR) 2011-03-10 US disclosed
EP-2092377-A1 OPTICAL ARTICLE COMPRISING A DOUBLE-LAYER ABRASION AND SCRATCH RESISTANT COATING AND METHOD FOR PRODUCTION THEREOF ESSILOR INTERNATIONAL Compagnie Générale d'Optique (FR) 2009-08-26 EP disclosed
WO-2008062142-A1 OPTICAL ARTICLE COMPRISING A DOUBLE-LAYER ABRASION AND SCRATCH RESISTANT COATING AND METHOD FOR PRODUCTION THEREOF ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-05-29 WO disclosed
EP-0526975-B1 Coating composition for optical plastic moldings ITOH OPTICAL IND (JP) 1995-07-26 EP disclosed
US-5322888-A Curable mixture of hydrolyzable silicate, epoxy-containing silane, dicarboxylic acid or anhydride, and imidazole catalyst; protective coating for optical substrate having a high refractive index; radiation resistance ITOH OPTICAL INDUSTRIAL CO., LTD. (JP) 1994-06-21 US disclosed
EP-0526975-A2 Coating composition for optical plastic moldings ITOH OPTICAL INDUSTRIAL CO., LTD. (JP) 1993-02-10 EP disclosed
US-4294950-A POLYVALENT CARBOXYLIC ACID BONDED THERETO ITO OPTICAL INDUSTRIAL CO., LTD. (JP) 1981-10-13 US disclosed
US-4107098-A HALOMETHYOXIRANE IS REACTED WITH AN IMIDAZOLE COMPOUND-PRODUCT REACTED WITH POLYFUNCTIONAL EPOXY COMPOUND MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1978-08-15 US disclosed