SCHEMBL148781

SCHEMBL148781

CN(C)c1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
GAA P10253 4/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38

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
Iodide SCHEMBL31276096 0.98 ALDH1A1 (0.53) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL25375578 0.80 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL30482159 0.80 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL10330189 0.80 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL14142621 0.80 ALDH1A1 (0.43) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL770158 0.80 MAPT (0.43) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL29827525 0.80 TSHR (0.48) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL1337100 0.79 TSHR (0.43) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL14562499 0.79 MAPT (0.53) ALDH1A1GAAMAPTKDM4ETSHR
SCHEMBL8568767 0.79 HDAC6 (0.45) ALDH1A1GAAMAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081367-A2 2-AMINO IMIDAZOLE DERIVATIVES Mirati Therapeutics, Inc. (US) 2023-05-11 WO claimed
CN-111187171-B Tin (II) cluster compound and preparation method and application thereof 山西大学 2022-11-11 CN claimed
CN-107735069-B Dental adhesive 登特斯普伊德特雷有限公司 2022-03-22 CN claimed
CN-111548374-B Reagent for identifying and indicating multiple environmental atmospheres and preparation method and application thereof 山西大学 2021-12-31 CN claimed
CN-111187171-A Tin (II) cluster compound and preparation method and application thereof 山西大学 2020-05-22 CN claimed
US-9005988-B2 Method to assess multiphase fluid compositions LUX INNOVATE LIMITED (GB) 2015-04-14 US claimed
US-8466211-B2 One-component self-etching adhesive DENTSPLY INTERNATIONAL INC. (US) 2013-06-18 US claimed
US-8440741-B2 Dental adhesive compositions and methods SANG JUNJIE (US) 2013-05-14 US claimed
CN-101863782-B Method for synthesizing ultraviolet photoinitiator of p-dimethylamin benzoic ether compounds INSIGHT FINECHEM CO LTD 2012-12-26 CN claimed
US-8022114-B2 Dental adhesive compositions and methods SANG JUNJIE 2011-09-20 US claimed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 WO claimed
US-6941051-B2 Method for producing non-linear optical organic crystal film REVEO, INC. (US) 2005-09-06 US claimed
CN-1636164-A Composite nonlinear optical film, manufacturing method and application thereof REVEO INC (US) 2005-07-06 CN claimed
US-20040033038-A1 Method for producing non-linear optical organic crystal film XU JIANJUN (US) 2004-02-19 US claimed
CN-1459047-A Method for producing non-linear optical organic crystal film REVEO INC (US) 2003-11-26 CN claimed
US-6577798-B2 Method for producing non-linear optical organic crystal film REVEO, INC. 2003-06-10 US claimed
US-20020041427-A1 Method for producing non-linear optical organic crystal film REVEO, INC. 2002-04-11 US claimed
WO-2002008828-A2 COMPOSITE NONLINEAR OPTICAL FILM, METHOD OF PRODUCING THE SAME AND APPLICATIONS OF THE SAME REVEO, INC. (US) 2002-01-31 WO claimed
WO-2002006890-A2 METHOD FOR PRODUCING NON-LINEAR OPTICAL ORGANIC CRYSTAL FILM REVEO, INC. (US) 2002-01-24 WO claimed
US-6303056-B1 Composite nonlinear optical film, method of producing the same and applications of the same REVEO, INC. 2001-10-16 US claimed