SCHEMBL10143826

SCHEMBL10143826

COc1cc(C(=O)Nc2ccc(CC(O)C[C@H](N)C(=O)OC3CCCC3)cc2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.46
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH1 P35367 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
SCHEMBL10143788 0.78 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL10143824 0.78 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL14216102 0.73 HTR4 (0.44) PDE4DPDE4APDE4BPDE4CHRH1
SCHEMBL10143872 0.72 PDE4A (0.39) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL10143828 0.72 HTR4 (0.49)
SCHEMBL13261137 0.71 MCHR1 (0.47) HRH1CCR3KCNH2
SCHEMBL10144544 0.71 MCHR1 (0.47) HRH1CCR3KCNH2
SCHEMBL5148402 0.70 MEN1 (0.60) KMT2AMEN1NPC1USP2RAB9A
SCHEMBL28034904 0.70 NPC1 (0.59) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL5606505 0.69 MEN1 (0.64) KMT2AMEN1NPC1USP2RAB9A

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-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed