SCHEMBL6923880

SCHEMBL6923880

CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC4(C#N)CC4)c3)no2)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.72
PRKD3 O94806 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
CTSL P07711 6/20 0.40
CTSB P07858 5/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 4/20 0.40
GABRA5 P31644 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
SCHEMBL935843 0.84 PRKD1 (1.00) PRKD1PRKD3PRKD2CTSLCTSB
SCHEMBL935844 0.84 PRKD1 (1.00) PRKD1PRKD3PRKD2CTSLCTSB
SCHEMBL6923923 0.83 PRKD1 (0.82) PRKD1PRKD3PRKD2
SCHEMBL937974 0.81 PRKD1 (0.72) PRKD1PRKD3PRKD2CTSLCTSB
SCHEMBL6922606 0.81 PRKD1 (0.78) PRKD1PRKD3PRKD2CTSK
SCHEMBL936281 0.79 PRKD1 (0.73) PRKD1PRKD3PRKD2CTSK
SCHEMBL6923731 0.77 PRKD1 (0.70) PRKD1PRKD3PRKD2CTSK
SCHEMBL936642 0.76 PRKD1 (0.85) PRKD1PRKD3PRKD2CTSLCTSB
SCHEMBL936644 0.76 PRKD1 (0.85) PRKD1PRKD3PRKD2CTSLCTSB
SCHEMBL936497 0.75 PRKD1 (0.82) 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 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