SCHEMBL11487596

SCHEMBL11487596

COc1cc2nc(CBr)c(OC)nc2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.46
PGK1 P00558 6/20 0.44
HDAC6 Q9UBN7 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
ERBB2 P04626 1/20 0.36
GSK3B P49841 1/20 0.36
MAP4K2 Q12851 1/20 0.36
HPGD P15428 1/20 0.35
AMY1A P0DUB6 1/20 0.35

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
SCHEMBL9700631 0.88 NQO2 (0.52) NQO2PGK1HDAC6PDGFRBPDGFRA
SCHEMBL11477391 0.81 NQO2 (0.46) NQO2PGK1HDAC6PDGFRBPDGFRA
SCHEMBL11696562 0.74 PDE4A (0.54) NQO2PGK1HDAC6PDGFRBPDGFRA
SCHEMBL9701973 0.74 NQO2 (0.39) NQO2PGK1ALDH1A1KDM4EGLA
SCHEMBL4928310 0.71 NQO2 (0.50) NQO2PGK1PDGFRBPDGFRARPS6KB2
SCHEMBL571871 0.69 ALDH1A1 (0.40) NQO2PGK1HDAC6ALDH1A1KDM4E
SCHEMBL29600727 0.69 ALDH1A1 (0.40) NQO2PGK1HDAC6ALDH1A1KDM4E
SCHEMBL19240443 0.69 NQO2 (0.40) NQO2PGK1HDAC6L3MBTL1ALDH1A1
SCHEMBL1291852 0.69 PGK1 (0.61) NQO2PGK1HDAC6PDGFRBPDGFRA
SCHEMBL29029328 0.68 NQO2 (0.62) NQO2PGK1HDAC6L3MBTL1PDGFRB

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-4216320-A Quinoxaline bleach catalysts CIBA-GEIGY AG (CH) 1980-08-05 US disclosed