SCHEMBL7790890

SCHEMBL7790890

Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.Sc1ncc[nH]1.[Pt].[Pt]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.66
CCR5 P51681 3/20 0.66
CCR8 P51685 3/20 0.66
KDM4E B2RXH2 5/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALPL P05186 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
MAPK1 P28482 1/20 0.43
METAP1 P53582 3/20 0.42
CBFB Q13951 2/20 0.42
METAP2 P50579 2/20 0.42
CYP1A2 P05177 2/20 0.40

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
Terpyridine SCHEMBL7785028 0.86 KDM4E (0.60) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1617719 0.83 CCR1 (0.96) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL517337 0.81 CCR1 (1.00) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7790887 0.80 CCR1 (0.40) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7785067 0.80 CBFB (0.47) CCR1CCR5CCR8KDM4ELMNA
2-Mercaptobenzimidazole SCHEMBL7794586 0.80 CCR1 (0.60) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL9876002 0.75 LMNA (0.44) CCR1CCR5CCR8KDM4ELMNA
2-Mercaptoethanol SCHEMBL7790768 0.75 CCR1 (0.72) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7552182 0.73 CCR1 (0.82) CCR1CCR5CCR8KDM4ELMNA
Mercaptopurine Anhydrous SCHEMBL7795114 0.73 CCR1 (0.55) CCR1CCR5CCR8KDM4ELMNA

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-1155025-A1 PLATINUM (II) COMPOUNDS ISIS INNOVATION LIMITED (GB) 2001-11-21 EP disclosed
WO-2000050431-A1 PLATINUM (II) COMPOUNDS ISIS INNOVATION LIMITED (GB) 2000-08-31 WO disclosed