SCHEMBL9014352

SCHEMBL9014352

Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc(-c2cc(O)ccn2)c1.Oc1ccnc2c1ccc1c(O)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.38
CCR5 P51681 4/20 0.38
CCR8 P51685 4/20 0.38
PIK3CD O00329 1/20 0.37
LMNA P02545 6/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 5/20 0.33
TP53 P04637 4/20 0.33
HSP90AA1 P07900 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALOX12 P18054 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
SLC6A2 P23975 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL9014297 1.00 CCR1 (0.38) CCR1CCR5CCR8PIK3CDLMNA
SCHEMBL1073354 0.83 CCR1 (0.50) CCR1CCR5CCR8LMNAMEN1
Hydrochloric Acid SCHEMBL11825124 0.81 CCR1 (0.48) CCR1CCR5CCR8LMNAMEN1
SCHEMBL1071219 0.81 CCR1 (0.48) CCR1CCR5CCR8LMNAMEN1
SCHEMBL9131899 0.79 CCR1 (0.46) CCR1CCR5CCR8LMNAMEN1
SCHEMBL9014390 0.78 CCR1 (0.65) CCR1CCR5CCR8LMNAMEN1
SCHEMBL9014369 0.78 CCR1 (0.65) CCR1CCR5CCR8LMNAMEN1
Dipyridyl SCHEMBL27618154 0.77 KDM4E (0.54) CCR1CCR5CCR8LMNAMEN1
SCHEMBL13328096 0.72 CCR1 (0.75) CCR1CCR5CCR8LMNAMEN1
SCHEMBL1645534 0.69 KDM4E (0.61) CCR1CCR5CCR8LMNAPOLB

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-0526603-B1 Use of Mono, Bis or Tris (2,2'-substituted Bipyridine) complexes of a transition metal as mediators for current sensors ASULAB SA (CH) 1996-12-04 EP claimed
US-5393903-A Mediator composition for coating an electrode of an amperometric sensor; for glucose testing in biological fluids ASULAB S.A. (CH) 1995-02-28 US claimed