SCHEMBL680373

SCHEMBL680373

CN(C)c1cc2c(cnn2C2CCCCO2)cc1Oc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HSPB1 P04792 4/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR4 O95977 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 3/20 0.33
SCN9A Q15858 1/20 0.32
MAPK8 P45983 3/20 0.32
MAPK14 Q16539 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL680366 0.88 RXRA (0.39) EGFRRXRARXRBRXRGALDH1A1
SCHEMBL679462 0.87 RXRA (0.39) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680498 0.86 EGFR (0.37) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680051 0.85 RXRA (0.42) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679190 0.85 RXRA (0.43) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679898 0.85 RXRA (0.38) EGFRRXRARXRBRXRGHSPB1
SCHEMBL679314 0.84 RXRA (0.38) EGFRRXRARXRBRXRGHSPB1
SCHEMBL680282 0.84 MITF (0.39) EGFRRXRARXRBRXRGALDH1A1
SCHEMBL680135 0.83 RXRA (0.40) EGFRRXRARXRBRXRGALDH1A1
SCHEMBL680423 0.83 EGFR (0.39) 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