SCHEMBL16618824

SCHEMBL16618824

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 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
KDM4E B2RXH2 1/20 0.34
KDM1A O60341 1/20 0.34
PDPK1 O15530 1/20 0.34
KDR P35968 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
SCHEMBL15973592 0.87 PDGFRB (0.40) MAPTEGFRKDM4E
SCHEMBL16619181 0.86 S1PR4 (0.40) S1PR4EGFRERBB2NPC1RECQL
SCHEMBL16619235 0.83 CTSB (0.32)
SCHEMBL29970057 0.82 PDGFRB (0.43) ALDH1A1MAPTEGFRKDM4E
SCHEMBL26131542 0.82 PDGFRB (0.43) ALDH1A1MAPTEGFRKDM4E
SCHEMBL16618814 0.81 CTSB (0.33) ALDH1A1MAPTEGFRERBB2RAB9A
SCHEMBL21358581 0.79 PDGFRA (0.49) ALDH1A1MAPTEGFRERBB2KDM4E
SCHEMBL16618826 0.77 CYP1A2 (0.41) ALDH1A1MAPTRAB9AKDM4E
SCHEMBL28949882 0.77 PDGFRB (0.41)
SCHEMBL16618815 0.76 EGFR (0.39) ALDH1A1EGFRERBB2

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