SCHEMBL4368735

SCHEMBL4368735

COc1c(O)c(F)nc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.37
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6576542 0.83 HSD17B10 (0.39) NOX1KMT2AATMHSD17B10
SCHEMBL7503466 0.77
SCHEMBL4374691 0.73 MEN1 (0.32) KMT2AHSD17B10
SCHEMBL20274462 0.70 TDP1 (0.35) HSD17B10TDP1
SCHEMBL14435586 0.69 TDP1 (0.33) TDP1
SCHEMBL4854363 0.69 NOX1 (0.30) NOX1KMT2A
SCHEMBL8734993 0.68 MEN1 (0.36) NOX1KMT2A
SCHEMBL18661726 0.68 HSD17B10 (0.34) HSD17B10
SCHEMBL11129794 0.67 TDP1 (0.36) KMT2AHSD17B10ESR1TDP1
SCHEMBL17302204 0.67 KDM4E (0.32) HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103950-A1 FLUORINATED PYRIDIN-4-0NES BTG INTERNATIONAL LIMITED (GB) 2009-08-27 WO disclosed