2-Mercaptoethanol

2-Mercaptoethanol

SCHEMBL7794620

Brc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.OCCS.[Pt]

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
LMNA P02545 6/20 0.41
KDM4E B2RXH2 5/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 4/20 0.41
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38

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
SCHEMBL30943430 0.87 CCR1 (0.55) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL29505007 0.87 CCR1 (0.55) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL30943427 0.87 CCR1 (0.55) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL21849866 0.87 CCR1 (0.55) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL3596420 0.87 CCR1 (0.55) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL3320940 0.84 CCR1 (0.51) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL4401831 0.81 MCL1 (0.56) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL19320191 0.81 MCL1 (0.56) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL3315795 0.81 MCL1 (0.56) CCR1CCR5CCR8LMNAKDM4E
SCHEMBL3319965 0.81 MCL1 (0.56) CCR1CCR5CCR8LMNAKDM4E

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 claimed
WO-2000050431-A1 PLATINUM (II) COMPOUNDS ISIS INNOVATION LIMITED (GB) 2000-08-31 WO claimed