SCHEMBL30080906

SCHEMBL30080906

N#CC(c1ccccc1)c1ccc2ccc3cccnc3c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
CCR1 P32246 3/20 0.47
CCR5 P51681 3/20 0.47
CCR8 P51685 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 2/20 0.47
CYP2D6 P10635 2/20 0.47
HIF1A Q16665 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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
SCHEMBL7995244 0.78 ALDH1A1 (0.51) HTTMAPTSMN1; SMN2TDP1LMNA
SCHEMBL28933357 0.77 LMNA (0.52) HTTCCR1CCR5CCR8MAPT
SCHEMBL637183 0.74 SLC6A2 (0.57) HTTMAPTSMN1; SMN2TDP1LMNA
Phenanthroline SCHEMBL28662342 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
Phenanthroline SCHEMBL28519994 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
Phenanthroline SCHEMBL44857 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
Phenanthroline SCHEMBL30477083 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
Phenanthroline SCHEMBL28130373 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
Phenanthroline SCHEMBL27616640 0.71 CCR1 (0.94) HTTCCR1CCR5CCR8MAPT
SCHEMBL34465845 0.71 CCR1 (0.61) HTTCCR1CCR5CCR8MAPT

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-115595634-A Cyanide-free gold plating solution containing Ru coordination compound and gold plating method 广东工业大学(CN) 2023-01-13 CN disclosed