SCHEMBL29044481

SCHEMBL29044481

Cc1nc(Nc2cccnc2)sc1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.53
MAPT P10636 6/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.50
CDK5 Q00535 4/20 0.50
CDK5R1 Q15078 4/20 0.50
KDM4E B2RXH2 4/20 0.50
GFER P55789 2/20 0.50
PIK3CG P48736 2/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL30522187 1.00 PTGDR2 (0.53) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL30522192 0.87 PIK3CG (0.47) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL29044477 0.87 PIK3CG (0.47) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL29044465 0.86 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1CDK5CDK5R1
SCHEMBL29044485 0.84 MAPT (0.57) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL29044470 0.82 MAPT (0.47) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL29044449 0.80 MAPT (0.47) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL30522185 0.80 MAPT (0.47) MAPTGAASMN1; SMN2MEN1KMT2A
SCHEMBL8738341 0.78 RAB9A (0.66) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
Bromide SCHEMBL6121426 0.77 SMN1; SMN2 (0.65) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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