SCHEMBL16618705

SCHEMBL16618705

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PIN1 Q13526 1/20 0.30
FBP1 P09467 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
SCHEMBL16618814 0.88 CTSB (0.33) MAPTMEN1LMNARAB9AKMT2A
SCHEMBL16618907 0.87 ENPP1 (0.31) MAPTRAB9AEGFRERBB2
SCHEMBL16619327 0.81 PDGFRB (0.41) MAPTMEN1LMNAKMT2AEGFR
SCHEMBL16619574 0.77 EGFR (0.39) EGFRGAAHTT
SCHEMBL16619572 0.77 EGFR (0.39) EGFRGAAHTT
SCHEMBL16619235 0.76 CTSB (0.32)
SCHEMBL16619269 0.73 CYP1A2 (0.42) MAPTMEN1RAB9AKMT2AGAA
SCHEMBL16618824 0.69 S1PR4 (0.35) MAPTRAB9AEGFRERBB2
SCHEMBL16619984 0.69 PDGFRB (0.44) MAPTMEN1LMNARAB9AKMT2A
SCHEMBL16619181 0.69 S1PR4 (0.40) RAB9AEGFRERBB2

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