SCHEMBL9053958

SCHEMBL9053958

Cc1nc2c(c(C)cc3cccnc32)c(C)c1C.Cc1nc2c(c(C)cc3cccnc32)c(C)c1C.Cc1nc2c(c(C)cc3cccnc32)c(C)c1C.[Ru]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.56
CCR8 P51685 5/20 0.56
CCR5 P51681 3/20 0.46
L3MBTL1 Q9Y468 4/20 0.42
PSMD14 O00487 1/20 0.42
COPS5 Q92905 1/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
HSP90AA1 P07900 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
MMP2 P08253 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1133753 0.98 CCR1 (0.57) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL992447 0.76 CCR1 (0.42) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL14445660 0.76 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL30286995 0.76 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL529761 0.76 CCR1 (0.62) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL27734736 0.75 CCR1 (0.41) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL28622581 0.75 CCR1 (0.41) CCR1CCR8L3MBTL1PSMD14COPS5
Water SCHEMBL27996227 0.75 CCR1 (0.61) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL20263744 0.74 CCR1 (0.48) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL862482 0.73 CCR1 (0.63) CCR1CCR8CCR5L3MBTL1PSMD14

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
WO-1996035697-A1 ELECTROCHEMILUMINESCENT METAL CHELATE LABELS AND MEANS FOR DETECTION IGEN, INC. (US) 1996-11-14 WO disclosed