SCHEMBL959960

SCHEMBL959960

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(OCCn4ccnc4)cc3)[nH]n2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.58
TBXAS1 P24557 9/20 0.52
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49

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
SCHEMBL1079502 0.85 PRKD1 (0.70) PRKD1
SCHEMBL962069 0.84 PRKD1 (0.66) PRKD1
SCHEMBL1063900 0.84 PRKD1 (0.69) PRKD1
SCHEMBL959982 0.81 PRKD1 (0.64) PRKD1
SCHEMBL936788 0.81 PRKD1 (0.65) PRKD1
SCHEMBL960488 0.81 PRKD1 (0.70) PRKD1
SCHEMBL1053391 0.81 PRKD1 (0.70) PRKD1
SCHEMBL6924052 0.81 PRKD1 (0.69) PRKD1
SCHEMBL6924065 0.81 PRKD1 (0.64) PRKD1
SCHEMBL6923109 0.79 HRH3 (0.65) 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 2 patents. 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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed