SCHEMBL6233703

SCHEMBL6233703

Nc1nc(-c2cc(C(F)(F)F)ccc2O)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 2/20 0.40
CHUK O15111 1/20 0.38
TXNRD1 Q16881 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CA P42336 1/20 0.36
BACE1 P56817 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FBP1 P09467 1/20 0.35
EPHX2 P34913 1/20 0.35
SCN4A P35499 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
SCHEMBL6234051 0.90 ALOX5AP (0.43) MPLCHUKTXNRD1NOX4ALOX5AP
SCHEMBL8110983 0.84 MPL (0.58) MPLALOX5APFEN1BACE1EPHX2
SCHEMBL17141655 0.82 MRGPRX4 (0.41) KDM4EPIK3CAMEN1KMT2AHPGD
SCHEMBL2901258 0.76 LTA4H (0.53) KDM4EMEN1KMT2AFBP1
SCHEMBL6240125 0.73 HSD17B1 (0.44) MPLALOX5APFEN1FBP1
SCHEMBL6234055 0.73 ESR2 (0.43) ALOX5APFEN1POLBMEN1KMT2A
SCHEMBL6238840 0.73 XDH (0.52) KDM4EALDH1A1PIK3CA
SCHEMBL29620904 0.71 NPSR1 (0.44) ALOX5APFEN1KDM4EALDH1A1KMT2A
SCHEMBL6240121 0.71 MPL (0.40) MPLALOX5APFEN1CYP1A2CYP2C19
SCHEMBL21884348 0.70 XDH (0.60)

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