SCHEMBL17029520

SCHEMBL17029520

CC(C)(C)OC(=O)c1nc(CC2CCN(OC(C)(C)C)CC2)nc(O)c1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.36
PRMT5 O14744 2/20 0.36
KLK7 P49862 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1772304 0.89 GPR119 (0.41) YAP1PRMT5KLK7LMNAHPGD
SCHEMBL1773414 0.89 YAP1 (0.47) YAP1PRMT5LMNAGRIN2BKDM4E
SCHEMBL1771803 0.87 YAP1 (0.40) YAP1PRMT5KLK7LMNAGRIN2B
SCHEMBL12019295 0.86 ITGB3 (0.39) PRMT5LMNAHPGD
SCHEMBL1773479 0.86 YAP1 (0.46) YAP1PRMT5KLK7LMNAKDM4E
SCHEMBL1773046 0.86 YAP1 (0.44) YAP1PRMT5KDM4E
SCHEMBL1772065 0.85 HRH3 (0.38) YAP1PRMT5GRIN2BKDM4E
SCHEMBL1772712 0.84 KLK7 (0.40) YAP1PRMT5KLK7KDM4E
SCHEMBL1773245 0.83 YAP1 (0.47) YAP1PRMT5LMNAGRIN2BKDM4E
SCHEMBL1772598 0.82 YAP1 (0.45) YAP1PRMT5KDM4E

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
EP-2492266-B1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed