SCHEMBL6922372

SCHEMBL6922372

CC(C)NC(=O)c1cccc(-c2cc(-c3cccc(N4CCN(C)CC4)c3)on2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 15/20 0.70
MLLT1 Q03111 1/20 0.47
MAPK14 Q16539 1/20 0.45
PRKD3 O94806 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL958900 0.93 PRKD1 (0.77) PRKD1MLLT1PRKD3PRKD2ALDH1A1
SCHEMBL957994 0.92 PRKD1 (0.81) PRKD1PRKD3PRKD2ALDH1A1MAPT
SCHEMBL6923596 0.83 PRKD1 (0.68) PRKD1MLLT1PRKD3PRKD2ALDH1A1
SCHEMBL959487 0.83 PRKD1 (0.76) PRKD1PRKD3PRKD2
SCHEMBL959488 0.83 PRKD1 (0.76) PRKD1PRKD3PRKD2
SCHEMBL936598 0.82 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936600 0.82 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL13702168 0.82 PRKD1 (0.61) PRKD1MAPK14PLOD2PLOD3PLOD1
SCHEMBL964036 0.82 PRKD1 (0.66) PRKD1MLLT1PRKD3PRKD2ALDH1A1
SCHEMBL935776 0.79 PRKD1 (0.59) PRKD1ALDH1A1MAPT

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