SCHEMBL680366

SCHEMBL680366

CN(C)c1cc2c(cnn2C2CCCCO2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 2/20 0.38
HTT P42858 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.34
HSP90AA1 P07900 5/20 0.34
HSP90AB1 P08238 5/20 0.34
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
TBXA2R P21731 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL680373 0.88 EGFR (0.40) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL680121 0.86 RXRA (0.41) RXRARXRBRXRGMEN1KMT2A
SCHEMBL5413224 0.77 RXRA (0.54) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL2144070 0.77 RXRA (0.47) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL29741242 0.77 RXRA (0.47) RXRARXRBRXRGPOLBALDH1A1
SCHEMBL680498 0.75 EGFR (0.37) RXRARXRBRXRGMEN1KMT2A
SCHEMBL679462 0.74 RXRA (0.39) RXRARXRBRXRGPOLBEGFR
SCHEMBL680051 0.73 RXRA (0.42) RXRARXRBRXRGKMT2APOLB
SCHEMBL679190 0.72 RXRA (0.43) RXRARXRBRXRGEGFRALDH1A1
SCHEMBL679898 0.72 RXRA (0.38) RXRARXRBRXRGKMT2AEGFR

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