SCHEMBL16618814

SCHEMBL16618814

N#CCOc1cc2c(O)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
FTO Q9C0B1 1/20 0.31
EGFR P00533 2/20 0.31
ERBB2 P04626 1/20 0.31
GAA P10253 2/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL16618705 0.88 MAPT (0.34) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL16619235 0.88 CTSB (0.32) CTSB
SCHEMBL15973592 0.82 PDGFRB (0.40) MAPTMEN1KMT2ALMNAEGFR
SCHEMBL16618824 0.81 S1PR4 (0.35) MAPTRAB9AEGFRERBB2ALDH1A1
SCHEMBL26131542 0.77 PDGFRB (0.43) MAPTMEN1KMT2ALMNAEGFR
SCHEMBL29970057 0.77 PDGFRB (0.43) MAPTMEN1KMT2ALMNAEGFR
SCHEMBL16618907 0.76 ENPP1 (0.31) MAPTRAB9AEGFRERBB2
SCHEMBL16619572 0.75 EGFR (0.39) EGFRGAAHTTALDH1A1
SCHEMBL16619574 0.75 EGFR (0.39) EGFRGAAHTTALDH1A1
SCHEMBL16618826 0.75 CYP1A2 (0.41) CTSBMAPTMEN1KMT2ARAB9A

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-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed