SCHEMBL442673

SCHEMBL442673

O=C1CC(=O)Nc2cccc(c2)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 7/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
MAP3K14 Q99558 1/20 0.43
AHR P35869 5/20 0.41
PDK2 Q15119 1/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.37
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
CMA1 P23946 2/20 0.36
EIF2AK2 P19525 1/20 0.35

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
SCHEMBL444472 0.78 AHR (0.42) TDP2CASP3CASP7CASP9CASP6
SCHEMBL5491179 0.78
SCHEMBL1509853 0.71
SCHEMBL5948758 0.70 MAOA (0.38) TDP2CASP3CASP7CASP6CASP8
SCHEMBL1235044 0.69 AHR (0.70) TDP2CASP3CASP7CASP9CASP6
SCHEMBL6379887 0.69 AHR (0.70) TDP2CASP3CASP7CASP9CASP6
SCHEMBL29510715 0.69 AHR (0.70) TDP2CASP3CASP7CASP9CASP6
Hydrochloric Acid SCHEMBL10924919 0.67
SCHEMBL4258759 0.67 CA12 (0.33) HSD17B10L3MBTL1
Barbituric Acid SCHEMBL5051030 0.67 TDP2 (0.50) TDP2CASP3CASP7CASP9CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120062228-A1 PREPARATION OF POLYAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-8063169-B2 Preparation of polyamide block copolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-22 US disclosed
US-7635747-B2 Using mixtures or adducts of N-heterocyclic carbenes with metal amides or metal alkoxides as catalysts; the catalysts are stable at polymerization temperatures, and the polymerization is rapid, resulting in high monomer conversion, high molecular weight E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-22 US disclosed
US-7514499-B2 Ring opening polymerization of cyclic amides using N-heterocyclic carbene catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-07 US disclosed
US-20070293629-A1 PREPARATION OF POLAMIDE BLOCK COPOLYMERS E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-20 US disclosed