SCHEMBL8517196

SCHEMBL8517196

CCCCc1nc(-c2ccc(NC(=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)c3ccccc3)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
EIF4A1 P60842 6/20 0.36
GSK3B P49841 1/20 0.35
TGM2 P21980 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CAPN9 O14815 1/20 0.34
CASP3 P42574 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PDE4D Q08499 1/20 0.34
RET P07949 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL8517195 1.00 MEN1 (0.39) MEN1KMT2AEGFREIF4A1GSK3B
SCHEMBL8012722 0.98 MEN1 (0.38) MEN1KMT2AEGFREIF4A1GSK3B
SCHEMBL8012720 0.98 MEN1 (0.38) MEN1KMT2AEGFREIF4A1GSK3B
SCHEMBL8010518 0.95 MEN1 (0.40) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8010512 0.95 MEN1 (0.40) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8001471 0.92 EGFR (0.40) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8001474 0.92 EGFR (0.40) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8012362 0.89 EGFR (0.38) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8012365 0.89 EGFR (0.38) MEN1KMT2AEGFRGSK3BTGM2
SCHEMBL8010183 0.88 EGFR (0.39) MEN1KMT2AEGFRGSK3BTGM2

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
WO-1999051590-A1 SUBSTITUTED INDOLINONES AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-14 WO disclosed