SCHEMBL680923

SCHEMBL680923

O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2-c2cccnc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
CYP19A1 P11511 3/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MCL1 Q07820 1/20 0.36
EGFR P00533 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HSPB1 P04792 2/20 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
SCHEMBL679314 0.91 RXRA (0.38) CYP11B1CYP11B2CYP19A1RXRARXRB
SCHEMBL680965 0.89 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL679898 0.88 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL680305 0.87 PLK4 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL680020 0.86 EGFR (0.39) CYP11B2RXRARXRBRXRGCYP4F2
SCHEMBL680764 0.86 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL680423 0.85 EGFR (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL680130 0.85 ATR (0.38) RXRARXRBRXRGEGFRSCN9A
SCHEMBL679358 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL679359 0.84 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11

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