SCHEMBL936969

SCHEMBL936969

COc1cc(N2CCN(C)CC2)ccc1-c1cc(-c2cccc(C(=O)N[C@H](C)C#N)c2)no1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.77
PRKD3 O94806 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
F10 P00742 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
SCHEMBL6923082 1.00 PRKD1 (0.77) PRKD1PRKD3PRKD2NPC1POLB
SCHEMBL935776 0.88 PRKD1 (0.59) PRKD1NPC1POLBRAB9AIRAK4
SCHEMBL1056918 0.87 PRKD1 (0.76) PRKD1NPC1POLBRAB9A
SCHEMBL936600 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936598 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL935870 0.79 PRKD1 (0.79) PRKD1PRKD3PRKD2
SCHEMBL935479 0.79 PRKD1 (0.79) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL6922372 0.79 PRKD1 (0.70) PRKD1PRKD3PRKD2MAPTALDH1A1
SCHEMBL957994 0.79 PRKD1 (0.81) PRKD1PRKD3PRKD2MAPTALDH1A1
SCHEMBL958900 0.78 PRKD1 (0.77) PRKD1PRKD3PRKD2MAPTALDH1A1

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