SCHEMBL21076793

SCHEMBL21076793

COC(=O)Cc1csc(N[S+](C)[O-])n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ PKM P14618 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL21076989 0.85 GAA (0.51) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL21077072 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL6878797 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL4968797 0.78 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL10134063 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL21044199 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL6877987 0.74 GAA (0.59) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL2786880 0.74 TP53 (0.59) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL15709932 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9APOLBNPC1
SCHEMBL9709994 0.73 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2RAB9APOLBNPC1

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
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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