SCHEMBL6924477

SCHEMBL6924477

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.56
SIRT5 Q9NXA8 1/20 0.48
CAMK2D Q13557 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
FYN P06241 6/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAP4K4 O95819 1/20 0.46
PARP1 P09874 1/20 0.46
GRK5 P34947 1/20 0.46

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
SCHEMBL960868 0.91 PRKD1 (0.55) PRKD1SIRT5CAMK2DPRKD3PRKD2
SCHEMBL6924745 0.84 PRKD1 (0.54) PRKD1PRKD3PRKD2FYN
SCHEMBL6922488 0.82 PRKD1 (0.62) PRKD1PRKD3PRKD2
SCHEMBL966138 0.82 PRKD1 (0.62) PRKD1PRKD3PRKD2
SCHEMBL6922447 0.82 PRKD1 (0.53) PRKD1PRKD3PRKD2
SCHEMBL937644 0.81 NPC1 (0.67) PRKD1PRKD3PRKD2
SCHEMBL6923851 0.81 PRKD1 (0.63) PRKD1PRKD3PRKD2
SCHEMBL6923793 0.79 PRKD1 (0.55) PRKD1PRKD3PRKD2
SCHEMBL6923923 0.79 PRKD1 (0.82) PRKD1PRKD3PRKD2ROCK2ROCK1
SCHEMBL937989 0.78 PRKD1 (0.75) PRKD1PRKD3PRKD2FYNHDAC1

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