SCHEMBL6234055

SCHEMBL6234055

Nc1nc(-c2ccc(O)cc2C(F)(F)F)co1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TYR P14679 1/20 0.36
FBP1 P09467 1/20 0.35
CFTR P13569 1/20 0.34
TOP2A P11388 1/20 0.34
HSD17B3 P37058 1/20 0.33
TNIK Q9UKE5 1/20 0.33
VCP P55072 2/20 0.33
LTA4H P09960 1/20 0.33
ESR1 P03372 1/20 0.33
NTSR1 P30989 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
SCHEMBL6234051 0.78 ALOX5AP (0.43) POLBALOX5APFEN1FBP1
SCHEMBL6240121 0.77 MPL (0.40) TSHRALOX5APFEN1FBP1VCP
SCHEMBL6233703 0.73 MPL (0.40) POLBALOX5APFEN1FBP1MEN1
SCHEMBL6240125 0.73 HSD17B1 (0.44) ESR2HSD17B1HSD17B2ALOX5APFEN1
SCHEMBL5792355 0.73 GLA (0.54) ESR2HSD17B1HSD17B2GLAPOLB
SCHEMBL31256038 0.73 GLA (0.54) ESR2HSD17B1HSD17B2GLAPOLB
SCHEMBL3395686 0.72 HSD17B1 (0.40) ESR2HSD17B1HSD17B2GLAPOLB
SCHEMBL6239462 0.71 NOTUM (0.44) ALOX5APFEN1SCN9A
SCHEMBL8110983 0.69 MPL (0.58) ALOX5APFEN1LTA4H
SCHEMBL7933583 0.69 LTA4H (0.56) ESR2HSD17B1HSD17B2POLBAR

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