SCHEMBL17681586

SCHEMBL17681586

NONc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.51
IDO1 P14902 3/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
XBP1 P17861 1/20 0.49
IDH2 P48735 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
KIF11 P52732 2/20 0.47
RAPGEF4 Q8WZA2 1/20 0.47

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
SCHEMBL31590848 0.84 L3MBTL1 (0.54) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL29876277 0.84 L3MBTL1 (0.54) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL11406613 0.82 L3MBTL1 (0.53) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL14995940 0.81 L3MBTL1 (0.65) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL11409430 0.81 L3MBTL1 (0.51) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL30085693 0.79 L3MBTL1 (0.50) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL125625 0.78 ALDH1A1 (0.61) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL2925587 0.77 MAPT (0.58) MAPTALDH1A1GAAIDO1RAB9A
SCHEMBL394991 0.77 KIF11 (0.70) MAPTALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL29748950 0.77 MAPT (0.58) MAPTALDH1A1GAAIDO1RAB9A

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-2016057931-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-04-14 WO disclosed