SCHEMBL25037409

SCHEMBL25037409

O=C(Nc1ccc2c(c1)SCCN2Cc1c(F)cccc1Cl)Nc1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 13/20 0.50
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER3 P43115 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30191475 1.00 STING1 (0.50) STING1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL25037356 0.94 STING1 (0.52) STING1ALDH1A1MAPTRAB9A
SCHEMBL30191182 0.94 STING1 (0.52) STING1ALDH1A1MAPTRAB9A
SCHEMBL30191040 0.94 STING1 (0.50) STING1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL25037402 0.94 STING1 (0.50) STING1ALDH1A1KDM4EMAPK1MAPT
SCHEMBL25037357 0.91 STING1 (0.54) STING1ALDH1A1MAPTMEN1RAB9A
SCHEMBL30191544 0.91 STING1 (0.54) STING1ALDH1A1MAPTMEN1RAB9A
SCHEMBL25037405 0.86 STING1 (0.52) STING1MAPT
SCHEMBL30882843 0.86 STING1 (0.52) STING1MAPT
SCHEMBL25035495 0.85 MAPT (0.48) STING1ALDH1A1KDM4EMAPK1MAPT

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