SCHEMBL29012791

SCHEMBL29012791

C/C(COC(N)=O)=C(/C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
ELANE P08246 1/20 0.45
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 1/20 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
SCHEMBL29012793 1.00 ALDH1A1 (0.51) ALDH1A1CA12CA9MAPTL3MBTL1
SCHEMBL20876339 0.82 ALDH1A1 (0.71) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL29012751 0.80 ALDH1A1 (0.46) ALDH1A1CA12CA9MAPTL3MBTL1
SCHEMBL20876369 0.78 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL20876370 0.78 ALDH1A1 (0.61) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL28917858 0.77 NPSR1 (0.51) ALDH1A1CA12CA9MAPTL3MBTL1
SCHEMBL28917859 0.77 NPSR1 (0.51) ALDH1A1CA12CA9MAPTL3MBTL1
SCHEMBL3281797 0.73 CA12 (0.68) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL29448333 0.73 ALDH1A1 (0.69) ALDH1A1CA12CA9MAPTNPSR1
SCHEMBL29744465 0.73 CA12 (0.68) ALDH1A1CA12CA9MAPTNPSR1

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-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-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