SCHEMBL28056196

SCHEMBL28056196

Ic1cc2ccc3cccnc3c2nc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.59
CCR8 P51685 5/20 0.59
LMNA P02545 5/20 0.59
KDM4E B2RXH2 4/20 0.59
CCR5 P51681 3/20 0.59
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
MAPT P10636 3/20 0.59
MMP2 P08253 2/20 0.59
TSHR P16473 2/20 0.59
TP53 P04637 2/20 0.59
HSP90AA1 P07900 2/20 0.59
ALOX15 P16050 2/20 0.59
HIF1A Q16665 2/20 0.59
GMNN O75496 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MMP9 P14780 1/20 0.59
NFKB1 P19838 1/20 0.59

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
SCHEMBL29778706 0.82 CCR1 (0.55) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL28781732 0.82 CCR1 (0.55) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL12900916 0.80 CCR1 (0.76) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL29868617 0.79 CCR1 (0.94) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL4612602 0.77 LMNA (0.56) CCR1CCR8LMNAKDM4EHTT
Phenanthroline SCHEMBL1232224 0.77 CCR1 (0.89) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL8690798 0.77 CCR1 (0.89) CCR1CCR8LMNAKDM4ECCR5
SCHEMBL22911114 0.77 CCR1 (0.61) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL29367277 0.77 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5
Phenanthroline SCHEMBL8845760 0.77 CCR1 (1.00) CCR1CCR8LMNAKDM4ECCR5

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
CN-102666547-B Nitrogen-containing aromatic compound and metal complex SUMITOMO CHEMICAL CO.,LTD. (JP) 2016-05-04 CN disclosed