SCHEMBL8565890

SCHEMBL8565890

CCc1ccnc(-c2cc(P(=O)(O)O)cc(-c3ccccn3)n2)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
SYK P43405 2/20 0.38
KDM4E B2RXH2 4/20 0.36
HSP90AA1 P07900 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KDM6B O15054 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
SCHEMBL28320230 0.80 KDM4E (0.43) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL4581614 0.80 CCR1 (0.56) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL3884850 0.79 KDM4E (0.42) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL8565884 0.75 SYK (0.35) CCR1CCR5CCR8SYKKDM4E
SCHEMBL8571537 0.71 KDM4E (0.41) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL12669547 0.71 KDM4E (0.54) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL23037082 0.69 CCR1 (0.46) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL12131299 0.68 ADORA3 (0.44) CCR1CCR5CCR8KDM4EHSP90AA1
Hydrochloric Acid SCHEMBL5098652 0.68 CCR1 (0.45) CCR1CCR5CCR8KDM4EHSP90AA1
SCHEMBL16215309 0.67 CCR1 (0.58) CCR1CCR5CCR8KDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758337-B1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECH (CH) 1998-12-16 EP disclosed
US-5789592-A Phosphonated polypyridyl compounds and their complexes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1998-08-04 US disclosed
EP-0758337-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1997-02-19 EP disclosed
WO-1995029924-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 1995-11-09 WO disclosed