SCHEMBL8009948

SCHEMBL8009948

O=C1Nc2ccc([N+](=O)[O-])cc2C1=C(Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GSK3B P49841 2/20 0.41
TLK2 Q86UE8 1/20 0.41
TGM2 P21980 1/20 0.41
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
CYP3A4 P08684 2/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.39
PDGFRB P09619 1/20 0.39
JAK3 P52333 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38

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
SCHEMBL8009947 1.00 EGFR (0.43) EGFRMEN1KMT2AGSK3BTLK2
SCHEMBL8015953 0.91 VCP (0.44) EGFRMEN1KMT2AGSK3BTLK2
SCHEMBL8015949 0.91 VCP (0.44) EGFRMEN1KMT2AGSK3BTLK2
SCHEMBL6319460 0.86 EGFR (0.54) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL6319442 0.86 EGFR (0.54) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL8001461 0.85 EGFR (0.44) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL8001464 0.85 EGFR (0.44) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL28414296 0.85 EGFR (0.55) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL29642973 0.85 EGFR (0.55) EGFRMEN1KMT2AGSK3BTGM2
SCHEMBL8517816 0.84 EGFR (0.42) EGFRMEN1KMT2AGSK3BTGM2

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-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed