SCHEMBL680764

SCHEMBL680764

O=C(O)n1cc(-c2cc3c(cnn3C3CCCCO3)cc2Oc2ccc([N+](=O)[O-])cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
EGFR P00533 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HSPB1 P04792 3/20 0.32
MCL1 Q07820 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
SERPINE1 P05121 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SCN9A Q15858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 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
SCHEMBL680196 0.90 SCN9A (0.39) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL679314 0.86 RXRA (0.38) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL680923 0.86 CYP11B1 (0.40) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL679898 0.86 RXRA (0.38) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL679359 0.85 RXRA (0.41) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL679358 0.85 RXRA (0.41) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL680965 0.85 RXRA (0.40) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL680305 0.85 PLK4 (0.39) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL679190 0.84 RXRA (0.43) RXRARXRBRXRGL3MBTL1ALDH1A1
SCHEMBL680423 0.84 EGFR (0.39) RXRARXRBRXRGMAPTMAPK1

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