SCHEMBL444472

SCHEMBL444472

O=C1CC(=O)Nc2ccc(cc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP2 O95551 6/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MAP3K14 Q99558 1/20 0.39
CMA1 P23946 2/20 0.37
EIF2AK2 P19525 1/20 0.35
CRBN Q96SW2 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33

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
SCHEMBL1509853 0.79
SCHEMBL442673 0.78 TDP2 (0.43) AHRPDK2TDP2CASP3CASP7
Hydrochloric Acid SCHEMBL10924919 0.75
SCHEMBL6379887 0.71 AHR (0.70) AHRPDK2ALDH1A1TDP2CASP3
SCHEMBL1235044 0.71 AHR (0.70) AHRPDK2ALDH1A1TDP2CASP3
Barbituric Acid SCHEMBL4560317 0.69 ALDH1A1 (0.55) AHRPDK2ALDH1A1TDP2CASP3
Barbituric Acid SCHEMBL9941322 0.69
Barbituric Acid SCHEMBL38707 0.69
SCHEMBL1603679 0.69 GSK3B (0.40) ALDH1A1CYP2C9CASP3CASP7CASP6
Barbituric Acid SCHEMBL11379882 0.67 ALDH1A1 (0.52) AHRPDK2ALDH1A1TDP2CASP3

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