SCHEMBL29256231

SCHEMBL29256231

NC(=O)c1ccc(CN2C(=O)CSc3ccc(NC(=O)Nc4c[nH]c5ccccc45)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 7/20 0.47
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL30191380 0.94 MAPT (0.45) STING1MAPTSMN1; SMN2TP53MEN1
SCHEMBL29256217 0.94 MAPT (0.45) STING1MAPTSMN1; SMN2TP53MEN1
SCHEMBL25138317 0.92 STING1 (0.49) STING1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL29979063 0.92 STING1 (0.49) STING1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL25037517 0.89 STING1 (0.46) STING1MAPTSMN1; SMN2LMNATP53
SCHEMBL30191932 0.89 STING1 (0.46) STING1MAPTSMN1; SMN2LMNATP53
SCHEMBL30191259 0.87 STING1 (0.45) STING1MAPTSMN1; SMN2LMNATP53
SCHEMBL25037520 0.87 STING1 (0.45) STING1MAPTSMN1; SMN2LMNATP53
SCHEMBL25037514 0.87 STING1 (0.51) STING1MAPTSMN1; SMN2MEN1OPRM1
SCHEMBL30191392 0.87 STING1 (0.51) STING1MAPTSMN1; SMN2MEN1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384267-A1 SMALL MOLECULE STING ANTAGONISTS Curadev Pharma Pvt. Ltd. (IN) 2024-06-19 EP claimed
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 claimed