SCHEMBL4551177

SCHEMBL4551177

CCOC(=O)/C(=N\Nc1ccc(F)cc1F)C(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX12 P18054 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.39
ABCB1 P08183 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL4551178 1.00 MAPT (0.48) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL4081557 0.82 GAA (0.52) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL4081554 0.82 GAA (0.52) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL25412997 0.78 MAPT (0.49) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL26349860 0.78 MAPT (0.49) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL2768155 0.78 MAPT (0.52) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL19332557 0.78 MAPT (0.52) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL29270703 0.78 MAPT (0.49) MAPTALDH1A1TDP1POLBMEN1
SCHEMBL16681749 0.78 ABCB1 (0.46) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL16681747 0.78 ABCB1 (0.46) MAPTALDH1A1POLBMEN1KMT2A

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-2009053799-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS, S.A. (US) 2009-04-30 WO disclosed