SCHEMBL3468321

SCHEMBL3468321

COc1ccc(Cc2cn(Cc3ccccc3)nc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
CYP19A1 P11511 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
DGAT1 O75907 1/20 0.45
KLKB1 P03952 5/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL20521155 0.84 KLKB1 (0.43) KLKB1NPC1RAB9AKMT2AMEN1
SCHEMBL29339783 0.81 LTA4H (0.51) LTA4HCYP19A1SIGMAR1CACNA1GCACNA1H
SCHEMBL24483861 0.81 LTA4H (0.51) LTA4HCYP19A1SIGMAR1CACNA1GCACNA1H
SCHEMBL21420053 0.78 HSP90AA1 (0.43) CYP19A1DGAT1KLKB1NPC1RAB9A
SCHEMBL17459119 0.78 HSP90AA1 (0.43) DGAT1KLKB1NPC1RAB9AKMT2A
SCHEMBL3696651 0.78 GAA (0.46) DGAT1KLKB1NPC1RAB9AL3MBTL1
SCHEMBL2361709 0.77 GAA (0.54) DGAT1KLKB1KMT2AGAA
SCHEMBL3467703 0.76 NPBWR1 (0.49) LTA4HSIGMAR1
SCHEMBL28170666 0.75 GAA (0.43) DGAT1KLKB1NPC1RAB9AKMT2A
SCHEMBL3696648 0.75 GAA (0.43) CYP19A1DGAT1KLKB1NPC1RAB9A

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-2010077623-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF FLUOROGLYCOSIDE DERIVATIVES SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed