SCHEMBL935619

SCHEMBL935619

C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(C4CO4)cc3)on2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.68
PRKD3 O94806 1/20 0.65
PRKD2 Q9BZL6 1/20 0.65
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.37
RORC P51449 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
MLLT1 Q03111 1/20 0.36

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
SCHEMBL935620 1.00 PRKD1 (0.68) PRKD1PRKD3PRKD2FAAHSMN1; SMN2
SCHEMBL935480 0.83 PRKD1 (0.72) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL938421 0.83 PRKD1 (0.81) PRKD1PRKD3PRKD2SMN1; SMN2ALDH1A1
SCHEMBL938420 0.83 PRKD1 (0.81) PRKD1PRKD3PRKD2SMN1; SMN2ALDH1A1
SCHEMBL935481 0.83 PRKD1 (0.72) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL935842 0.82 PRKD1 (0.69) PRKD1PRKD3PRKD2SMN1; SMN2MAPT
SCHEMBL935844 0.81 PRKD1 (1.00) PRKD1PRKD3PRKD2SMN1; SMN2ALDH1A1
SCHEMBL935843 0.81 PRKD1 (1.00) PRKD1PRKD3PRKD2SMN1; SMN2ALDH1A1
SCHEMBL936598 0.81 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936600 0.81 PRKD1 (1.00) PRKD1PRKD3PRKD2

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