SCHEMBL21032953

SCHEMBL21032953

O=S(=O)(c1ccccc1)[C@@H]1CCSC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.45
▸ KCNH2 Q12809 4/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ MAPT P10636 2/20 0.41
▸ AKR1C3 P42330 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MMP8 P22894 2/20 0.37
▸ MMP13 P45452 2/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ ELOVL6 Q9H5J4 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ USP2 O75604 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
SCHEMBL21032959 0.82 ALDH1A1 (0.41) HTR2AKCNH2HTR2CALDH1A1MMP8
SCHEMBL21032803 0.82 ALDH1A1 (0.41) HTR2AKCNH2HTR2CALDH1A1MMP8
SCHEMBL2048495 0.78 HTR2A (0.59) HTR2AKCNH2HTR2CMAPTAKR1C3
SCHEMBL7541817 0.74 HTR2A (0.56) HTR2AKCNH2HTR2CMAPTAKR1C3
SCHEMBL777971 0.74 MAPT (0.56) HTR2AKCNH2HTR2CMAPTAKR1C3
SCHEMBL21033418 0.74 ALDH1A1 (0.43) MAPTALDH1A1RAB9AKMT2A
SCHEMBL21033033 0.74 ALDH1A1 (0.43) MAPTALDH1A1RAB9AKMT2A
SCHEMBL21032801 0.74 CA1 (0.49) MAPTALDH1A1MMP8MMP13MMP1
SCHEMBL776895 0.72 MAPT (0.55) HTR2AKCNH2HTR2CMAPTALDH1A1
Cyanide SCHEMBL27638463 0.72 HTR2A (0.54) HTR2AKCNH2HTR2CMAPTAKR1C3

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
WO-2019104199-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY REGEN BIOPHARMA INC. (US) 2019-05-31 — — WO disclosed
WO-2019104201-A1 SMALL MOLECULE AGONISTS AND ANTAGONISTS OF NR2F6 ACTIVITY IN NON-HUMANS Zander Therapeutics, Inc. (US) 2019-05-31 — — WO disclosed
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