SCHEMBL6948710

SCHEMBL6948710

O=C1Nc2ccccc2C1OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 8/20 0.40
TDO2 P48775 3/20 0.40
KDM4E B2RXH2 3/20 0.39
GSK3B P49841 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL5275526 0.84 MAPT (0.51) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL31181916 0.81 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL6952027 0.80 POLB (0.50) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL16111315 0.77 IDO1 (0.44) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL7072166 0.75 IDO1 (0.49) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL10594322 0.73 MAPT (0.51) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL6374610 0.71 RET (0.39) ALDH1A1KDM4E
SCHEMBL7694802 0.71 MAPT (0.43) MAPTALDH1A1L3MBTL1IDO1TDO2
SCHEMBL3948947 0.70 CES1 (0.30)
SCHEMBL17506915 0.70 IDO1 (0.40) MAPTALDH1A1L3MBTL1IDO1TDO2

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
EP-1358180-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES F. Hoffmann-La Roche AG (CH) 2003-11-05 EP disclosed
WO-2002059109-A2 NAPHTHOSTYRIL DERIVATIVES AND THEIR USE AS INHIBITORS OF CYCLIN- DEPENDENT KINASES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-01 WO disclosed