SCHEMBL29044463

SCHEMBL29044463

Cc1nc(Nc2ccncc2)sc1CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDK5 Q00535 5/20 0.44
CDK5R1 Q15078 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
KDM4E B2RXH2 2/20 0.41
DHODH Q02127 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPV4 Q9HBA0 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
SCHEMBL29044485 0.89 MAPT (0.57) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL29044451 0.84 MAPT (0.51) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL29044443 0.77 ALDH1A1 (0.43) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8738730 0.75 SMN1; SMN2 (0.74) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4924576 0.75 NPC1 (0.59) MAPTALDH1A1MEN1KMT2ACDK5
Hydrochloric Acid SCHEMBL6114152 0.74 SMN1; SMN2 (0.72) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8738460 0.74 SMN1; SMN2 (0.52) MAPTALDH1A1MEN1KMT2ACDK5
SCHEMBL30522187 0.74 PTGDR2 (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL29044481 0.74 PTGDR2 (0.53) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL280460 0.74 GAA (0.40) MAPTGAAALDH1A1MEN1KMT2A

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