SCHEMBL6165736

SCHEMBL6165736

CO[C@@H]1[C@H](O)[C@@H](O)[C@H](c2ccc3c(N4CCN(c5ccccn5)CC4)cc(=O)oc3c2C)O[C@]1(C)CO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKDC P78527 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8371288 0.92 PDE3B (0.39) PDE3BPDE3AALDH1A1HSD17B10PRKDC
SCHEMBL6158814 0.87 PRKDC (0.37) PDE3BPDE3AALDH1A1KDM4EPRKDC
SCHEMBL6156255 0.83 MEN1 (0.38) PDE3BPDE3AALDH1A1HSD17B10KDM4E
SCHEMBL6155845 0.77 KMT2A (0.34) ALDH1A1HSD17B10KDM4EHPGDHTT
SCHEMBL6156254 0.77 KDM4E (0.35) ALDH1A1KDM4EHPGD
SCHEMBL7784158 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL6942331 0.69 LMNA (0.37) KDM4E
SCHEMBL7793422 0.69 KDM4E (0.35) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL7605642 0.66 ALDH1A1 (0.34) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL7792709 0.66 POLB (0.30) ALDH1A1KDM4EHPGD

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
EP-0894805-B1 Ribose substituted aromatic derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2005-02-09 EP disclosed
EP-0894805-A1 Ribose substituted aromatic derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 1999-02-03 EP disclosed