SCHEMBL25037405

SCHEMBL25037405

O=C(Nc1ccc2c(c1)SCCN2Cc1ccccc1)Nc1c[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.52
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDR P35968 1/20 0.41

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
SCHEMBL30882843 1.00 STING1 (0.52) STING1MAPTTP53SMN1; SMN2HDAC1
SCHEMBL23768825 0.93 MAPT (0.54) STING1MAPTTP53SMN1; SMN2
SCHEMBL29978613 0.93 MAPT (0.54) STING1MAPTTP53SMN1; SMN2
SCHEMBL30191367 0.91 STING1 (0.52) STING1MAPTTP53SMN1; SMN2HDAC1
SCHEMBL25037332 0.91 STING1 (0.52) STING1MAPTTP53SMN1; SMN2HDAC1
SCHEMBL25037356 0.88 STING1 (0.52) STING1MAPT
SCHEMBL30191182 0.88 STING1 (0.52) STING1MAPT
SCHEMBL30191346 0.87 STING1 (0.46) STING1MAPTKDR
SCHEMBL29256218 0.87 STING1 (0.46) STING1MAPTKDR
SCHEMBL25037325 0.86 STING1 (0.46) STING1MAPT

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-118159535-A Small molecule STING antagonists 库拉德夫制药私人有限公司 2024-06-07 CN claimed
WO-2023017451-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed