SCHEMBL16619181

SCHEMBL16619181

COCCOc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 3/20 0.40
EGFR P00533 2/20 0.36
VCAM1 P19320 1/20 0.35
SRC P12931 3/20 0.35
ERBB2 P04626 1/20 0.35
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16618824 0.86 S1PR4 (0.35) S1PR4EGFRERBB2NPC1RECQL
SCHEMBL18114309 0.82 PDGFRB (0.43) EGFR
SCHEMBL29744240 0.79 PDGFRB (0.49) EGFRERBB2
SCHEMBL246700 0.79 PDGFRB (0.49) EGFRERBB2
SCHEMBL28826672 0.78 ENPP1 (0.43)
Hydrochloric Acid SCHEMBL26102510 0.77 PDGFRB (0.48) EGFRERBB2
SCHEMBL21050767 0.77 MAPT (0.37) EGFRVCAM1
SCHEMBL16618812 0.76 EGFR (0.39) EGFRERBB2
SCHEMBL16618815 0.76 EGFR (0.39) EGFRERBB2
SCHEMBL29969235 0.75 CYP1A2 (0.37) EGFRNPC1RAB9A

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