SCHEMBL6663529

SCHEMBL6663529

C=C(C)C(=O)Nc1cccc(C)n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
GRM5 P41594 7/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GBA1 P04062 4/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 1/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
SORT1 Q99523 1/20 0.52

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
SCHEMBL10148817 0.89 TDP1 (0.51) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL11964356 0.83 TDP1 (0.46) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL49953 0.82 RAB9A (0.75) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL23183075 0.82 RAB9A (0.63) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL29704545 0.82 RAB9A (0.75) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL22111560 0.81 TDP1 (0.45) RAB9AGRM5MEN1KMT2ASMN1; SMN2
SCHEMBL14294321 0.81 XIAP (0.58) RAB9AGRM5MEN1KMT2ANPC1
SCHEMBL5631286 0.80 RAB9A (0.72) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL31725239 0.80 RAB9A (0.78) RAB9AGRM5MEN1KMT2AGBA1
SCHEMBL14353530 0.80 RAB9A (1.00) RAB9AGRM5MEN1KMT2AGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152573-B1 METHOD FOR ANALYTICALLY CHECKING THE AUTHENTICITY OF INGREDIENTS IN FOODSTUFFS USING ARTIFICIAL ANTIBODIES GFL GES FUER LEBENSMITTEL FORSCHUNG MBH (DE) 2018-10-24 EP claimed
EP-3152573-B1 METHOD FOR ANALYTICALLY CHECKING THE AUTHENTICITY OF INGREDIENTS IN FOODSTUFFS USING ARTIFICIAL ANTIBODIES GFL GES FUER LEBENSMITTEL FORSCHUNG MBH (DE) 2018-10-24 EP disclosed
EP-3152573-A1 METHOD FOR ANALYTICALLY CHECKING THE AUTHENTICITY OF INGREDIENTS IN FOODSTUFFS USING ARTIFICIAL ANTIBODIES GFL Gesellschaft Für Lebensmittel-Forschung mbH (DE) 2017-04-12 EP disclosed
WO-2015185030-A1 METHOD FOR ANALYTICALLY CHECKING THE AUTHENTICITY OF INGREDIENTS IN FOODSTUFFS USING ARTIFICIAL ANTIBODIES GFL GESELLSCHAFT FÜR LEBENSMITTEL-FORSCHUNG MBH (DE) 2015-12-10 WO disclosed
WO-2004007068-A1 A METHOD USING SOLVENTS FOR IMPROVED MICROPOROUS POLYMERIC ADSORBENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-22 WO disclosed
US-20040009872-A1 Method using solvents for improved microporous polymeric adsorbents E. I. DU PONT DE NEMOURS AND COMPANY 2004-01-15 US disclosed