SCHEMBL8517816

SCHEMBL8517816

O=C1Nc2ccc([N+](=O)[O-])cc2C1=C(Nc1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.39
CAPN9 O14815 1/20 0.38
CASP3 P42574 1/20 0.38
TGM2 P21980 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CHRM1 P11229 1/20 0.37
RET P07949 1/20 0.37
GSK3B P49841 1/20 0.36
ELANE P08246 1/20 0.36
NPBWR1 P48145 1/20 0.36
PDGFRB P09619 1/20 0.36
JAK3 P52333 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
SCHEMBL8517814 1.00 EGFR (0.42) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8013331 0.91 EGFR (0.42) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8013336 0.91 EGFR (0.42) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8010009 0.90 EGFR (0.42) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8010012 0.90 EGFR (0.42) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8010211 0.88 MEN1 (0.40) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8012336 0.88 EGFR (0.40) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8001471 0.88 EGFR (0.40) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8001474 0.88 EGFR (0.40) EGFRMEN1KMT2ALMNAHPGD
SCHEMBL8010210 0.88 MEN1 (0.40) EGFRMEN1KMT2ALMNAHPGD

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