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Sugi Predict / Compounds / 2-Mercaptoethanol

2-Mercaptoethanol

2-Mercaptoethanol

SCHEMBL11750992

Cc1ccc(-c2ncoc2-c2ccc(C)cc2)cc1.OCCS

nearest known ligand 0.45

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.45
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL8066719 0.87 MAPK14 (0.56) MAPK14MEN1KMT2ANPC1
2-Mercaptoethanol SCHEMBL11752092 0.84 MAPK14 (0.46) MAPK14MEN1KMT2A
SCHEMBL11751520 0.78 MAPK14 (0.42) MAPK14MEN1KMT2ANPC1CNR1
SCHEMBL11754145 0.77 MAPK14 (0.43) MAPK14MEN1KMT2A
SCHEMBL11755594 0.76 MEN1 (0.39) MAPK14MEN1KMT2ANPC1CNR1
SCHEMBL11756178 0.76 MAPK14 (0.42) MAPK14MEN1KMT2A
SCHEMBL11752979 0.75 MAPK14 (0.41) MAPK14MEN1KMT2A
2-Mercaptoethanol SCHEMBL11753567 0.75 HDAC1 (0.48) —
SCHEMBL11749158 0.75 MAPK14 (0.47) MAPK14MEN1KMT2A
SCHEMBL11753979 0.75 MAPK14 (0.47) MAPK14MEN1KMT2A

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
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 — — US disclosed
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