SCHEMBL21158085

SCHEMBL21158085

CC(C)(C)OC(=O)NC/C=C/CNc1c(N)cc(C(N)=O)cc1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.39
STING1 Q86WV6 1/20 0.37
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
HDAC1 Q13547 2/20 0.33
HPN P05981 1/20 0.33
BRD4 O60885 1/20 0.33
NQO2 P16083 1/20 0.33
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
AAK1 Q2M2I8 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRM2 Q14416 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL29436967 0.89 STING1 (0.39) SERPINE1STING1CA1CA2HDAC1
SCHEMBL21643816 0.89 STING1 (0.39) SERPINE1STING1CA1CA2HDAC1
SCHEMBL20889072 0.87 STING1 (0.45) STING1
SCHEMBL29406354 0.87 STING1 (0.45) STING1
SCHEMBL29012734 0.87 STING1 (0.45) STING1
SCHEMBL22121412 0.82 STING1 (0.38) STING1CA1CA2HDAC1BRD4
SCHEMBL23077453 0.81 STING1 (0.40) STING1CA1CA2HDAC1BRD4
SCHEMBL21158189 0.81 STING1 (0.37) STING1AAK1
SCHEMBL29403353 0.81 GAA (0.41) STING1HDAC1BRD4AAK1PRSS1
SCHEMBL28416129 0.81 GAA (0.41) STING1HDAC1BRD4AAK1PRSS1

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
WO-2019134705-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed