SCHEMBL28416129

SCHEMBL28416129

CC(C)(C)OC(=O)NCC=CCNc1ccc(C(N)=O)cc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
PTGER4 P35408 4/20 0.40
ALOX15 P16050 1/20 0.39
BRD4 O60885 1/20 0.39
HDAC1 Q13547 3/20 0.39
PRSS1 P07477 4/20 0.37
HSD17B10 Q99714 1/20 0.37
STING1 Q86WV6 1/20 0.36
PRKCI P41743 1/20 0.35

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
SCHEMBL29403353 1.00 GAA (0.41) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL19451468 1.00 GAA (0.41) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL22121273 0.90 GAA (0.48) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL22932803 0.86 STING1 (0.44) GAAKDM4EALDH1A1BRD4HDAC1
SCHEMBL29405983 0.84 KMT2A (0.52) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL28419206 0.84 KMT2A (0.52) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL19451471 0.84 KMT2A (0.52) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL22121490 0.83 GAA (0.51) GAAKDM4EALDH1A1MAPTTHRB
SCHEMBL29619906 0.82 BRD4 (0.52) GAAKDM4EALDH1A1MAPTPTGER4
SCHEMBL19448912 0.82 BRD4 (0.52) GAAKDM4EALDH1A1MAPTPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417630-B Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2023-06-06 CN disclosed
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 CN disclosed
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 CN disclosed
CN-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 CN disclosed
CN-111417630-A Modulators of interferon gene stimulating factor (STING) 葛兰素史克知识产权开发有限公司 2020-07-14 CN disclosed
CN-111194214-A Methods of administering STING agonists 葛兰素史密斯克莱知识产权发展有限公司 2020-05-22 CN disclosed