SCHEMBL28888409

SCHEMBL28888409

CC(C)(NS(=O)(=O)c1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ ABCC9 O60706 1/20 0.44
▸ ABCC8 Q09428 1/20 0.44
▸ KCNJ11 Q14654 1/20 0.44
▸ KCNJ8 Q15842 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PLAT P00750 1/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 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
SCHEMBL21960087 0.82 NAPRT (0.52) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL30530541 0.82 MAPT (0.54) SLC1A3SLC1A2SLC1A1NAPRTKEAP1
SCHEMBL858995 0.82 MAPT (0.54) SLC1A3SLC1A2SLC1A1NAPRTKEAP1
SCHEMBL10402270 0.82 BCAT1 (0.50) KEAP1ALDH1A1PLGPLAUPLAT
SCHEMBL28391735 0.79 NAMPT (0.49) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL579072 0.77 KMT2A (0.50) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL12880366 0.77 PTGS2 (0.52) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL1464706 0.76 NAPRT (0.53) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL25394823 0.76 PTGS2 (0.62) SLC1A3SLC1A2SLC1A1NAPRTPTGS2
SCHEMBL486015 0.76 KMT2A (0.55) SLC1A3SLC1A2SLC1A1NAPRTPTGS2

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
CN-105919987-B N-acyloxysulfonamide and N-hydroxy-N-acylsulfonamide derivatives and uses thereof 约翰斯霍普金斯大学 2020-04-03 — — CN disclosed
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