SCHEMBL29044461

SCHEMBL29044461

Cc1nc(Nc2ccccc2)sc1CCCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 11/20 0.55
RAB9A P51151 10/20 0.55
NPC1 O15118 10/20 0.55
KMT2A Q03164 10/20 0.55
MEN1 O00255 9/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44

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
SCHEMBL29044443 0.87 ALDH1A1 (0.43) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29044444 0.85 GAA (0.59) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29044449 0.85 MAPT (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL30522185 0.85 MAPT (0.47) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29044438 0.80 ALDH1A1 (0.54) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL280339 0.78 GAA (0.55) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL260704 0.76 GAA (0.52) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29044466 0.72 MAPT (0.65) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL25804386 0.72 ALDH1A1 (0.69) GAAALDH1A1MAPTRAB9ANPC1
SCHEMBL29044457 0.72 MAOB (0.57) ALDH1A1RAB9ANPC1POLBSMN1; SMN2

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