SCHEMBL8635758

SCHEMBL8635758

O=C([O-])Cc1ccccn1.O=C([O-])Cc1ccccn1.[Cu+2]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PTPRA P18433 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
POLB P06746 1/20 0.47
IDO1 P14902 1/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.45
FDPS P14324 2/20 0.44
HRH1 P35367 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
Potassium Ion SCHEMBL22502183 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
Lithium Ion SCHEMBL31084604 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
Potassium Ion SCHEMBL29375764 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
Lithium Ion SCHEMBL988401 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
SCHEMBL11122324 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
SCHEMBL6443559 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
SCHEMBL28518813 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
Zinc Ion SCHEMBL5685855 0.96 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPRACA1
SCHEMBL2142240 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PTPRACA1
Propionic Acid SCHEMBL30952375 0.80 HRH1 (0.46) SMN1; SMN2PTPRACA2POLBCYP1A2

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
US-5720897-A A COMPLEXES AS ANTIDEPOSITING AGENT, PRECIPITATION INHIBITOR UNIVERSITY OF FLORIDA (US) 1998-02-24 US disclosed