SCHEMBL935481

SCHEMBL935481

CC(C#N)NC(=O)c1cccc(-c2cc(-c3ccc(C=O)cc3)on2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.72
PRKD3 O94806 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
ERN1 O75460 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
RORC P51449 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
MLLT1 Q03111 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
SCHEMBL935480 1.00 PRKD1 (0.72) PRKD1PRKD3PRKD2ERN1SMN1; SMN2
SCHEMBL938421 0.86 PRKD1 (0.81) PRKD1PRKD3PRKD2SMN1; SMN2NPC1
SCHEMBL938420 0.86 PRKD1 (0.81) PRKD1PRKD3PRKD2SMN1; SMN2NPC1
SCHEMBL935842 0.84 PRKD1 (0.69) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL935620 0.83 PRKD1 (0.68) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL935844 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2SMN1; SMN2NPC1
SCHEMBL935619 0.83 PRKD1 (0.68) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL935843 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2SMN1; SMN2NPC1
SCHEMBL936381 0.82 PRKD1 (0.77) PRKD1PRKD3PRKD2SMN1; SMN2NPC1
SCHEMBL936379 0.82 PRKD1 (0.77) PRKD1PRKD3PRKD2SMN1; SMN2NPC1

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