SCHEMBL680020

SCHEMBL680020

Cc1cc(-c2cc3c(cnn3C3CCCCO3)cc2Oc2ccc([N+](=O)[O-])cc2F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
S1PR4 O95977 1/20 0.35
SCN9A Q15858 1/20 0.34
HSPB1 P04792 3/20 0.34
GRM2 Q14416 4/20 0.33
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP11B2 P19099 1/20 0.32
ATR Q13535 1/20 0.32
CHRM1 P11229 1/20 0.32
KDR P35968 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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 0.92 RXRA (0.38) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL680965 0.90 RXRA (0.40) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL679314 0.90 RXRA (0.38) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL680423 0.87 EGFR (0.39) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL680923 0.86 CYP11B1 (0.40) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL680130 0.86 ATR (0.38) EGFRRXRARXRBRXRGSCN9A
SCHEMBL680305 0.85 PLK4 (0.39) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL680078 0.85 CYP4F2 (0.34) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL679358 0.85 RXRA (0.41) EGFRCYP4F2CYP4A11RXRARXRB
SCHEMBL679359 0.85 RXRA (0.41) EGFRCYP4F2CYP4A11RXRARXRB

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