SCHEMBL21032801

SCHEMBL21032801

CC(=O)Nc1ccc(S(=O)(=O)C2CCSC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ POLB P06746 3/20 0.48
▸ MMP2 P08253 4/20 0.48
▸ MMP9 P14780 4/20 0.48
▸ MMP1 P03956 2/20 0.48
▸ MMP8 P22894 2/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ NAMPT P43490 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 3/20 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
SCHEMBL8524289 0.77 CA1 (0.51) CA1CA2CA12CA9POLB
SCHEMBL28144414 0.75 ALDH1A1 (0.51) POLBNAMPTL3MBTL1ALDH1A1KMT2A
SCHEMBL21032959 0.74 ALDH1A1 (0.41) CA1CA2CA12CA9MMP2
SCHEMBL21032803 0.74 ALDH1A1 (0.41) CA1CA2CA12CA9MMP2
SCHEMBL27920040 0.74 MEN1 (0.52) CA1CA2CA12CA9POLB
SCHEMBL21032953 0.74 HTR2A (0.45) MMP1MMP8MMP13ALDH1A1KMT2A
Acedapsone SCHEMBL152710 0.69 PKM (0.85) CA1CA2CA12CA9POLB
SCHEMBL27751362 0.69 NAMPT (0.46) CA1CA2CA12CA9POLB
SCHEMBL4072349 0.69 MEN1 (0.72) CA1CA2CA12CA9POLB
SCHEMBL756792 0.68 CA1 (0.69) CA1CA2CA12CA9POLB

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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