SCHEMBL31490949

SCHEMBL31490949

CC(C)(C)c1ccc(C=CS(=O)(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
HPGD P15428 3/20 0.60
CYP1A2 P05177 3/20 0.60
TP53 P04637 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
NFKB1 P19838 2/20 0.60
MAPK1 P28482 2/20 0.60
CYP2C19 P33261 2/20 0.60
HSD17B10 Q99714 2/20 0.60
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL29153359 0.82 TLR9 (0.56) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL31490957 0.82 ALDH1A1 (0.54) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL29153354 0.82 TLR9 (0.56) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL31490941 0.81 ALDH1A1 (0.53) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL31490946 0.81 ALDH1A1 (0.53) ALDH1A1MAPTTDP1HPGDCYP1A2
SCHEMBL7904258 0.80 PTGES2 (0.47) ALDH1A1MAPTLMNATSHRPTGES2
SCHEMBL7904260 0.80 PTGES2 (0.47) ALDH1A1MAPTLMNATSHRPTGES2
SCHEMBL7905095 0.80 PTGES2 (0.50) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL7905094 0.80 PTGES2 (0.50) ALDH1A1MAPTKMT2ALMNAKDM4E
SCHEMBL12477355 0.80 ALDH1A1 (0.55) ALDH1A1MAPTTDP1HPGDCYP1A2

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