SCHEMBL29684351

SCHEMBL29684351

O=C(Nc1cccc(-c2ccccc2)c1)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.74
KCNK9 Q9NPC2 1/20 0.74
MAPT P10636 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
LMNA P02545 2/20 0.69
KDM4E B2RXH2 2/20 0.69
HTT P42858 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
HDAC3 O15379 1/20 0.64
HDAC1 Q13547 1/20 0.64
HPGD P15428 2/20 0.64
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
CLK1 P49759 1/20 0.63
TDP1 Q9NUW8 2/20 0.63
ALDH1A1 P00352 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL12259170 0.89 KCNK3 (0.84) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL23011772 0.87 KCNK3 (0.82) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL7522642 0.86 NPC1 (0.80) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL1929165 0.85 NPC1 (0.85) KCNK3KCNK9MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL31228835 0.84 NPC1 (0.82) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL13911050 0.83 KCNK3 (0.66) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL11077480 0.82 KCNK3 (0.78) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL29684484 0.82 MAPT (0.60) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL19392293 0.80 NPC1 (0.89) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL12496157 0.80 KCNK3 (0.82) KCNK3KCNK9MAPTMEN1KMT2A

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
CN-114763346-B Compounds for inducing cartilage formation and application thereof 华东师范大学 2025-06-10 CN disclosed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed