SCHEMBL961784

SCHEMBL961784

CC(NC(=O)c1cccc(-c2cc(-c3ccc(N4CCN(C)CC4)c(Cl)c3)on2)c1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 12/20 0.60
PRKD3 O94806 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
WDR5 P61964 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
LIMK1 P53667 1/20 0.40
CXCR1 P25024 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL961783 1.00 PRKD1 (0.60) PRKD1PRKD3PRKD2WDR5NPC1
SCHEMBL959487 0.88 PRKD1 (0.76) PRKD1PRKD3PRKD2LIMK1
SCHEMBL959488 0.88 PRKD1 (0.76) PRKD1PRKD3PRKD2LIMK1
SCHEMBL935479 0.87 PRKD1 (0.79) PRKD1PRKD3PRKD2WDR5NPC1
SCHEMBL6923549 0.84 PRKD1 (0.54) PRKD1WDR5NPC1ALDH1A1RAB9A
SCHEMBL6923773 0.82 PRKD1 (0.78) PRKD1PRKD3PRKD2WDR5CXCR1
SCHEMBL958900 0.79 PRKD1 (0.77) PRKD1PRKD3PRKD2ALDH1A1
SCHEMBL935776 0.79 PRKD1 (0.59) PRKD1NPC1ALDH1A1RAB9A
SCHEMBL957994 0.78 PRKD1 (0.81) PRKD1PRKD3PRKD2ALDH1A1
SCHEMBL6922372 0.78 PRKD1 (0.70) PRKD1PRKD3PRKD2ALDH1A1

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