SCHEMBL25035501

SCHEMBL25035501

O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2)Nc1c[nH]c2ccc(-c3cccc(OC(F)(F)F)c3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.44
▸ KCNN4 O15554 4/20 0.42
▸ MAPT P10636 7/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL30191265 1.00 STING1 (0.44) STING1KCNN4MAPTCLK1MEN1
SCHEMBL30191448 0.91 MAPT (0.53) MAPTCLK1MEN1KMT2AHTT
SCHEMBL25035510 0.91 MAPT (0.53) MAPTCLK1MEN1KMT2AHTT
SCHEMBL29256227 0.90 STING1 (0.42) STING1MAPTCLK1MEN1KMT2A
SCHEMBL29256216 0.88 MAPT (0.42) MAPTCLK1MEN1KMT2AHTT
SCHEMBL30191379 0.87 MAPT (0.44) MAPTCLK1MEN1KMT2AHTT
SCHEMBL29256211 0.87 MAPT (0.44) MAPTCLK1MEN1KMT2AHTT
SCHEMBL29256226 0.86 MAPT (0.42) STING1MAPTMEN1KMT2AHTT
SCHEMBL29256219 0.86 CCR3 (0.41) MAPTCLK1MEN1KMT2AHTT
SCHEMBL29256223 0.86 USP2 (0.42) MAPTCLK1MEN1KMT2AHTT

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
Send feedback