SCHEMBL680078

SCHEMBL680078

Cc1cc(-c2cc3c(cnn3C3CCCCO3)cc2Oc2ccc([N+](=O)[O-])cc2F)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
EGFR P00533 1/20 0.34
S1PR4 O95977 1/20 0.34
SCN9A Q15858 11/20 0.33
HSPB1 P04792 3/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL679898 0.88 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680965 0.86 RXRA (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680020 0.85 EGFR (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL679314 0.84 RXRA (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680423 0.83 EGFR (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680130 0.83 ATR (0.38) RXRARXRBRXRGEGFRSCN9A
SCHEMBL679462 0.82 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680305 0.82 PLK4 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680051 0.82 RXRA (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL680373 0.82 EGFR (0.40) CYP4F2CYP4A11RXRARXRBRXRG

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