SCHEMBL6234051

SCHEMBL6234051

Nc1nc(-c2ccc(C(F)(F)F)cc2O)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
MPL P40238 2/20 0.41
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
BACE1 P56817 1/20 0.37
KEAP1 Q14145 1/20 0.37
FBP1 P09467 1/20 0.36
CHUK O15111 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NOX4 Q9NPH5 1/20 0.36
EPHX2 P34913 1/20 0.36
SCN4A P35499 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL6233703 0.90 MPL (0.40) ALOX5APFEN1MPLALDH1A1KDM4E
SCHEMBL8110983 0.82 MPL (0.58) ALOX5APFEN1MPLBACE1EPHX2
SCHEMBL6234055 0.78 ESR2 (0.43) ALOX5APFEN1FBP1POLB
SCHEMBL2901258 0.77 LTA4H (0.53) KDM4EFBP1
SCHEMBL6238840 0.74 XDH (0.52) ALDH1A1KDM4EPIK3CA
SCHEMBL29620904 0.72 NPSR1 (0.44) ALOX5APFEN1ALDH1A1KDM4EFBP1
SCHEMBL6240125 0.72 HSD17B1 (0.44) ALOX5APFEN1MPLFBP1
SCHEMBL6240121 0.72 MPL (0.40) ALOX5APFEN1MPLBACE1FBP1
SCHEMBL17141655 0.72 MRGPRX4 (0.41) KDM4EPIK3CA
SCHEMBL6238252 0.68 LTA4H (0.37) ALOX5APFEN1ALDH1A1KDM4EBACE1

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed