SCHEMBL935776

SCHEMBL935776

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 9/20 0.59
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.40
DYRK1A Q13627 1/20 0.40
F10 P00742 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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 0.88 PRKD1 (0.77) PRKD1NPC1RAB9APOLBIRAK4
SCHEMBL936969 0.88 PRKD1 (0.77) PRKD1NPC1RAB9APOLBIRAK4
SCHEMBL959487 0.87 PRKD1 (0.76) PRKD1
SCHEMBL959488 0.87 PRKD1 (0.76) PRKD1
SCHEMBL1056918 0.83 PRKD1 (0.76) PRKD1NPC1RAB9APOLB
SCHEMBL6922372 0.79 PRKD1 (0.70) PRKD1MAPTALDH1A1
SCHEMBL957994 0.79 PRKD1 (0.81) PRKD1MAPTALDH1A1
SCHEMBL961783 0.79 PRKD1 (0.60) PRKD1NPC1RAB9AALDH1A1
SCHEMBL961784 0.79 PRKD1 (0.60) PRKD1NPC1RAB9AALDH1A1
SCHEMBL958900 0.79 PRKD1 (0.77) PRKD1MAPTALDH1A1

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