SCHEMBL680423

SCHEMBL680423

COc1ncc(-c2cc3c(cnn3C3CCCCO3)cc2Oc2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HSPB1 P04792 3/20 0.36
SCN9A Q15858 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPK8 P45983 3/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
PDE9A O76083 1/20 0.33
DRD4 P21917 1/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
MAPK14 Q16539 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL680965 0.89 RXRA (0.40) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679898 0.88 RXRA (0.38) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680305 0.88 PLK4 (0.39) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679314 0.88 RXRA (0.38) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680020 0.87 EGFR (0.39) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680130 0.86 ATR (0.38) EGFRRXRARXRBRXRGSCN9A
SCHEMBL680923 0.85 CYP11B1 (0.40) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679359 0.85 RXRA (0.41) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679358 0.85 RXRA (0.41) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680764 0.84 RXRA (0.40) EGFRRXRARXRBRXRGHSPB1

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
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed