SCHEMBL29125845

SCHEMBL29125845

CCc1cccc(OC(CC)CSCc2n[nH]c(=S)[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ SOD1 P00441 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31

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
SCHEMBL29125834 0.89 KMT2A (0.41) MAPK1L3MBTL1SLC6A2SLC6A4LMNA
SCHEMBL29125776 0.76 NPC1 (0.34) MAPK1L3MBTL1LMNATDP1KMT2A
SCHEMBL29125879 0.74 SOD1 (0.49) MAPK1L3MBTL1LMNATSHRTDP1
SCHEMBL30788509 0.74 SOD1 (0.49) MAPK1L3MBTL1LMNATSHRTDP1
SCHEMBL29125676 0.72 KMT2A (0.34) MAPK1SLC6A2SLC6A4ENPP3MMP13
SCHEMBL29125877 0.71 NPC1 (0.42) MAPK1L3MBTL1LMNATSHRTDP1
SCHEMBL29125921 0.71 KMT2A (0.46) LMNATDP1MMP13KMT2ACYP1A2
SCHEMBL29125983 0.70 KDM4E (0.34) TSHRMMP13KMT2ACYP2C9SMN1; SMN2
SCHEMBL29125854 0.70 ENPP3 (0.44) MAPK1LMNATSHRTDP1ENPP3
SCHEMBL13462825 0.66 KDM4E (0.47) MAPK1L3MBTL1SLC6A2SLC6A4TSHR

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-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
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