SCHEMBL3019661

SCHEMBL3019661

COc1cc(=O)[nH]c2nc(N(C)C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.49
ADORA1 P30542 2/20 0.49
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AR P10275 1/20 0.39
NQO2 P16083 3/20 0.38
CYP19A1 P11511 2/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
CDC7 O00311 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL10821728 0.79 AR (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11592378 0.79 ADORA1 (0.53) ADORA2AADORA1KDM4EALDH1A1GLA
SCHEMBL1272672 0.72 ADORA2A (0.45) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL76177 0.71 KDM4E (0.56) ADORA1KDM4EALDH1A1GLAGAA
SCHEMBL29377253 0.71 KDM4E (0.56) ADORA1KDM4EALDH1A1GLAGAA
SCHEMBL28428097 0.68 KDM4E (0.54) ADORA1KDM4EALDH1A1GLAGAA
Perchlorate SCHEMBL30042407 0.65 KDM4E (0.49) ADORA1KDM4EALDH1A1GLAGAA
SCHEMBL31664571 0.63 TNKS2 (0.61) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL2799080 0.63 TNKS2 (0.61) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL29830469 0.63 KDM4E (0.49) KDM4EALDH1A1GLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475924-B2 Compositions and methods for creating electronic circuitry E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-07-02 US disclosed
US-8449949-B2 Compositions and methods for creating electronic circuitry E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
EP-2165582-B1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY DU PONT (US) 2012-08-22 EP disclosed
EP-2165581-B1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY DU PONT (US) 2012-08-22 EP disclosed
US-20100181284-A1 METHOD OF OBTAINING ELECTRONIC CIRCUITRY FEATURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20100009173-A1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY E. I. DU PONTE DE NEMOURS AND COMPANY (US) 2010-01-14 US disclosed
US-20090017309-A1 COMPOSITIONS AND METHODS FOR CREATING ELECTRONIC CIRCUITRY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-01-15 US disclosed