SCHEMBL936786

SCHEMBL936786

COCCCNCc1ccc(-c2cc(-c3cccc(C(=O)N[C@H](C)C#N)c3)no2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.74
PRKD3 O94806 1/20 0.66
PRKD2 Q9BZL6 1/20 0.66
HDAC6 Q9UBN7 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
MAOB P27338 1/20 0.40
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 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
SCHEMBL936787 1.00 PRKD1 (0.74) PRKD1PRKD3PRKD2HDAC6PPARG
SCHEMBL937987 0.87 PRKD1 (0.75) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL937989 0.87 PRKD1 (0.75) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL935844 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL935843 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL6924420 0.84 PRKD1 (0.66) PRKD1PRKD3PRKD2ALDH1A1
SCHEMBL938420 0.84 PRKD1 (0.81) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL938421 0.84 PRKD1 (0.81) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936642 0.83 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936644 0.83 PRKD1 (0.85) PRKD1PRKD3PRKD2PPARGPPARA

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