SCHEMBL29044441

SCHEMBL29044441

Cc1nc(Nc2ccccn2)sc1CC(=O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK10 P53779 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDR P35968 2/20 0.45
CDK5 Q00535 6/20 0.43
CDK5R1 Q15078 6/20 0.43
LCK P06239 3/20 0.42
TRPV4 Q9HBA0 1/20 0.42
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL29044464 0.86 LMNA (0.62) LMNAALDH1A1MAPK10RXFP1NPC1
SCHEMBL29044453 0.85 LMNA (0.57) LMNAALDH1A1MAPK10RXFP1NPC1
SCHEMBL29044460 0.79 LMNA (0.57) LMNAALDH1A1MAPK10RXFP1NPC1
SCHEMBL29044477 0.78 PIK3CG (0.47) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL30522192 0.78 PIK3CG (0.47) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL29044438 0.76 ALDH1A1 (0.54) LMNAALDH1A1MAPK10RXFP1NPC1
SCHEMBL8738378 0.75 ALDH1A1 (0.97) LMNAALDH1A1MAPK10RXFP1NPC1
Hydrochloric Acid SCHEMBL6114205 0.74 ALDH1A1 (0.95) LMNAALDH1A1MAPK10RXFP1NPC1
Bromide SCHEMBL6121128 0.74 ALDH1A1 (1.00) LMNAALDH1A1MAPK10RXFP1NPC1
SCHEMBL8737987 0.73 ALDH1A1 (0.71) LMNAALDH1A1MAPK10RXFP1NPC1

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-116531373-B Thiazole compound, pharmaceutical composition and application thereof 上海日馨医药科技股份有限公司 2025-02-25 CN disclosed
CN-116531373-A Thiazole compound, pharmaceutical composition and application thereof 上海日馨医药科技股份有限公司 2023-08-04 CN disclosed