SCHEMBL6923756

SCHEMBL6923756

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCC(=O)OC(C)C)cc3)[nH]n2)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 15/20 0.66
MAPT P10636 2/20 0.52
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1053391 0.89 PRKD1 (0.70) PRKD1MAPTBCHEACHEADORA3
SCHEMBL960488 0.89 PRKD1 (0.70) PRKD1MAPTBCHEACHEADORA3
SCHEMBL1024920 0.89 PRKD1 (0.64) PRKD1MAPTBCHEACHEADORA3
SCHEMBL1079502 0.87 PRKD1 (0.70) PRKD1MAPTBCHEACHEADORA3
SCHEMBL936788 0.83 PRKD1 (0.65) PRKD1MAPTADORA3ADORA2AADORA2B
SCHEMBL6924052 0.83 PRKD1 (0.69) PRKD1BCHEACHEADORA3ADORA2A
SCHEMBL6924065 0.83 PRKD1 (0.64) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL936452 0.82 PRKD1 (0.74) PRKD1BCHEACHEADORA3ADORA2A
SCHEMBL6922501 0.81 PRKD1 (0.80) PRKD1BCHEACHEADORA3ADORA2A
SCHEMBL962069 0.81 PRKD1 (0.66) PRKD1

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-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed