SCHEMBL6155495

SCHEMBL6155495

Cc1c(O)ccc2c(N3CCN(c4ncccn4)CC3)cc(=O)oc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
PRKDC P78527 1/20 0.46
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
P4HB P07237 1/20 0.46
HPGD P15428 1/20 0.46
ESR2 Q92731 1/20 0.44

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
SCHEMBL6155892 0.85 MAOB (0.58) MAOBCA12CA9TNFNOD2
SCHEMBL6156448 0.82 PRKDC (0.64) MAOBCA12CA9TNFNOD2
SCHEMBL6156974 0.81 ERAP1 (0.58) MAOBCA12CA9TNFNOD2
SCHEMBL8371288 0.73 PDE3B (0.39) PDE3BPDE3APRKDCALDH1A1
SCHEMBL5345045 0.70 MAOB (0.77) MAOBCA12CA9TNFNOD2
SCHEMBL28365890 0.70 KMT2A (0.62) PDE3BPDE3APRKDCGAAKDM4E
SCHEMBL4187220 0.69 MAOB (1.00) MAOBCA12CA9TNFNOD2
SCHEMBL6155496 0.68 MAOB (0.73) MAOBCA12CA9TNFNOD2
SCHEMBL31139188 0.68 MAOB (0.73) MAOBCA12CA9TNFNOD2
SCHEMBL17658999 0.67 GAA (0.68) MAOBCA12CA9GAAHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
US-5968939-A ANTIBIOTICS FROM AMINOOXOBENZOPYRAN COMPOUNDS HOECHST MARION ROUSSEL (FR) 1999-10-19 US disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed