SCHEMBL18323595

SCHEMBL18323595

COC(=O)c1cc(OC)n2c(C)nnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FUT7 Q11130 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL18323585 0.86 KDM5A (0.41) KDM4ESMN1; SMN2CA1CA2CA12
SCHEMBL18323604 0.86 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323588 0.84 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323603 0.82 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL15907113 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323607 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL30158919 0.81 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323631 0.79 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323594 0.77 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1CA1CA2
SCHEMBL18323589 0.77 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed