SCHEMBL29684591

SCHEMBL29684591

O=C(NCc1cccc(-c2ccccc2)c1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 6/20 0.56
AOC3 Q16853 2/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CFD P00746 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL2925459 0.87 NPC1 (0.71) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL18906063 0.83 HPGD (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL29732813 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL28844872 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL13895327 0.82 HPGD (0.59) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL5726547 0.79 CFD (0.71) SMN1; SMN2AOC3HDAC3HDAC1CFD
SCHEMBL12993479 0.78 TSHR (0.56) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL6123167 0.78 ALDH1A1 (0.74) NPC1RAB9ASMN1; SMN2CYP2C9HPGD
SCHEMBL29732908 0.78 HPGD (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL28844940 0.78 HPGD (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9

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