SCHEMBL25035503

SCHEMBL25035503

O=C(Nc1ccc2c(c1)N(Cc1noc3ccccc13)C(=O)CS2)Nc1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.44
MAPT P10636 5/20 0.42
HTT P42858 4/20 0.42
USP2 O75604 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL23769070 0.87 MAPT (0.43) MAPTHTTUSP2SMN1; SMN2TP53
SCHEMBL29979063 0.85 STING1 (0.49) STING1MAPTHTTSMN1; SMN2LMNA
SCHEMBL25138317 0.85 STING1 (0.49) STING1MAPTHTTSMN1; SMN2LMNA
SCHEMBL25037517 0.84 STING1 (0.46) STING1MAPTHTTUSP2SMN1; SMN2
SCHEMBL30191932 0.84 STING1 (0.46) STING1MAPTHTTUSP2SMN1; SMN2
SCHEMBL30191357 0.83 MAPT (0.50) STING1MAPTHTTUSP2SMN1; SMN2
SCHEMBL25037515 0.83 MAPT (0.50) STING1MAPTHTTUSP2SMN1; SMN2
SCHEMBL30191392 0.82 STING1 (0.51) STING1MAPTHTTSMN1; SMN2TSHR
SCHEMBL25037514 0.82 STING1 (0.51) STING1MAPTHTTSMN1; SMN2TSHR
SCHEMBL25037521 0.82 USP2 (0.55) STING1MAPTHTTUSP2SMN1; SMN2

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 4 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
WO-2023017451-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-02-16 WO disclosed