SCHEMBL9664012

SCHEMBL9664012

N#CC(C#N)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
PTGS1 P23219 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAOB P27338 1/20 0.50
CYP2D6 P10635 1/20 0.50
AKR1C3 P42330 1/20 0.46
TSHR P16473 3/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MITF O75030 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4449688 0.84 PTGS1 (0.50) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL13886757 0.84 PTGS1 (0.50) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL10746067 0.82 PTGS1 (0.53) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL1677135 0.82 TSHR (0.60) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL11353860 0.82 TRPA1 (0.60) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL24106552 0.82 PTGS1 (0.57) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL192456 0.82 TSHR (0.60) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL10905926 0.82 PTGS1 (0.49) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL7191294 0.82 PTGS1 (0.53) ALOX5PTGS1MEN1KMT2AMAOB
SCHEMBL15978566 0.82 PTGS1 (0.57) ALOX5PTGS1MEN1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500572-A4 PREPARATION OF MIXTURES OF CYPERMETHRIN OR CYFLUTHRIN ISOMERS ENRICHED IN MORE ACTIVE SPECIES 1992-10-07 EP disclosed
EP-0500572-A1 PREPARATION OF MIXTURES OF CYPERMETHRIN OR CYFLUTHRIN ISOMERS ENRICHED IN MORE ACTIVE SPECIES. FMC CORP (US) 1992-09-02 EP disclosed
US-5028731-A Reaction Of An Alpha-Hydroxyphenoxyphenylacetonitrile With A Cyclopropanecarbonyl Chloride Without Use Of An Acid Acceptor To Enhance Production Of Insecticidally Active Isomers FMC CORPORATION (US) 1991-07-02 US disclosed
WO-1991007379-A1 PREPARATION OF MIXTURES OF CYPERMETHRIN OR CYFLUTHRIN ISOMERS ENRICHED IN MORE ACTIVE SPECIES FMC CORPORATION (US) 1991-05-30 WO disclosed