SCHEMBL318683

SCHEMBL318683

CCOC(=O)c1csc(-c2cccc(F)c2F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
MAPT P10636 6/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.52
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CLK1 P49759 1/20 0.49
CYP19A1 P11511 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL318924 0.87 RAB9A (0.57) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL793414 0.81 RAB9A (0.53) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL15754817 0.81 RAB9A (0.60) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL6983909 0.81 RAB9A (0.56) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL13144514 0.80 MAPT (0.70) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL6224829 0.80 RAB9A (0.61) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL2551417 0.80 HTR2B (0.61) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL3103929 0.80 MAPT (0.56) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL3535303 0.80 PANK3 (0.57) RAB9ANPC1MAPTNPSR1POLB
SCHEMBL15608747 0.79 ACHE (0.55) ALDH1A1ACHEKDM4E

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-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed