SCHEMBL31490968

SCHEMBL31490968

CC(C)(C)c1ccc(C=CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 2/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
CCR2 P41597 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL4478513 0.84 ACHE (0.56) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL1925183 0.84 ACHE (0.56) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL29153354 0.82 TLR9 (0.56) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL29153359 0.82 TLR9 (0.56) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL31490957 0.82 ALDH1A1 (0.54) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL31490941 0.81 ALDH1A1 (0.53) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL31490946 0.81 ALDH1A1 (0.53) MAPTALDH1A1HPGDTDP1NPC1
SCHEMBL28813938 0.80 CYP1B1 (0.53) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL27980282 0.80 CYP1B1 (0.53) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL12477355 0.80 ALDH1A1 (0.55) MAPTALDH1A1HPGDTDP1NPC1

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-119823005-A Method for preparing vinyl sulfone compound by coupling photo-promoted sulfonyl chloride and olefin 浙江工业大学 2025-04-15 CN disclosed