SCHEMBL16618907

SCHEMBL16618907

N#CCCCOc1cc2c(Br)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL16619235 0.89 CTSB (0.32)
SCHEMBL16618705 0.87 MAPT (0.34) RAB9AMAPTEGFRERBB2
SCHEMBL16619327 0.78 PDGFRB (0.41) MAPTEGFRERBB2
SCHEMBL16618814 0.76 CTSB (0.33) RAB9AMAPTEGFRERBB2
SCHEMBL16618824 0.71 S1PR4 (0.35) NPC1RECQLRAB9AS1PR4MAPT
SCHEMBL16619181 0.71 S1PR4 (0.40) NPC1RECQLRAB9AS1PR4EGFR
SCHEMBL16619269 0.71 CYP1A2 (0.42) NPC1RECQLRAB9AMAPT
SCHEMBL16619494 0.70 MAPT (0.42) NPC1RAB9AS1PR4MAPT
SCHEMBL16618967 0.70 ENPP1 (0.34) ENPP1
SCHEMBL16619572 0.69 EGFR (0.39) EGFR

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