2-Mercaptoethanol

2-Mercaptoethanol

SCHEMBL7790771

Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.OCC[S-].OCC[S-].[Pt+2]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.72
CCR5 P51681 3/20 0.72
CCR8 P51685 3/20 0.72
KDM4E B2RXH2 5/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX15 P16050 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
MAPK1 P28482 1/20 0.47
METAP1 P53582 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44

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 SCHEMBL7795085 0.85 KDM4E (0.67) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL517337 0.85 CCR1 (1.00) CCR1CCR5CCR8KDM4ELMNA
2-Mercaptoethanol SCHEMBL7790768 0.84 CCR1 (0.72) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1617719 0.83 CCR1 (0.96) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7552182 0.80 CCR1 (0.82) CCR1CCR5CCR8KDM4ELMNA
Ammonia Solution, Strong SCHEMBL7544617 0.79 CCR1 (0.79) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL7790733 0.78 CCR1 (0.77) CCR1CCR5CCR8KDM4ELMNA
Terpyridine SCHEMBL30883364 0.77 KDM4E (0.55) CCR1CCR5CCR8KDM4ELMNA
Hydrochloric Acid SCHEMBL28907429 0.75 CCR1 (0.79) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL4889156 0.74 CCR1 (0.77) 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