SCHEMBL1903539

SCHEMBL1903539

COc1ccc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TASP1 Q9H6P5 1/20 0.65
NPC1 O15118 1/20 0.64
NPSR1 Q6W5P4 7/20 0.57
MAPT P10636 5/20 0.57
MAPK1 P28482 4/20 0.57
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
USP2 O75604 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HTR1E P28566 1/20 0.48
S1PR3 Q99500 1/20 0.48
GAA P10253 4/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
CFTR P13569 1/20 0.45
AGTR1 P30556 1/20 0.45

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
SCHEMBL1899805 0.92 NPC1 (0.72) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL1898992 0.89 NPC1 (0.68) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL1898696 0.88 TASP1 (0.81) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL3064847 0.79 NPC1 (1.00) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL10069051 0.79 TASP1 (1.00) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL1899685 0.77 NPSR1 (0.85) TASP1NPSR1MAPTMAPK1CNR1
SCHEMBL1900846 0.77 NPC1 (0.70) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL1899142 0.75 NPC1 (0.67) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL17647945 0.74 NPC1 (0.60) TASP1NPC1NPSR1MAPTMAPK1
SCHEMBL3804271 0.73 NPC1 (0.58) TASP1NPC1NPSR1MAPTMAPK1

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
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed