SCHEMBL29979459

SCHEMBL29979459

O=S(=O)(Nc1ccc2c(c1)N(Cc1ccccc1)CCO2)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
CYP19A1 P11511 2/20 0.42
SCN9A Q15858 1/20 0.42
TNIK Q9UKE5 4/20 0.41
ESR1 P03372 5/20 0.40
FAAH O00519 1/20 0.39
MAPK14 Q16539 1/20 0.39
HTR6 P50406 1/20 0.38
NR3C1 P04150 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
SCHEMBL23769044 1.00 AR (0.42) ARCYP19A1SCN9ATNIKESR1
SCHEMBL28914052 0.90 SCN9A (0.50) ARCYP19A1SCN9ATNIKESR1
SCHEMBL29978936 0.86 NPC1 (0.44) ARTNIKFAAHMAPK14
SCHEMBL23769408 0.86 NPC1 (0.44) ARTNIKFAAHMAPK14
SCHEMBL23769047 0.86 AR (0.41) ARSCN9ATNIKFAAHMAPK14
SCHEMBL25028531 0.80 NPC1 (0.48) FAAH
SCHEMBL30895147 0.80 NPC1 (0.48) FAAH
SCHEMBL23768824 0.79 NPC1 (0.44) ARSCN9ATNIKFAAHMAPK14
SCHEMBL29979274 0.79 NPC1 (0.44) ARSCN9ATNIKFAAHMAPK14
SCHEMBL25138346 0.79 MAOA (0.46) ARTNIKFAAHMAPK14

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 CN disclosed
CN-115151304-A Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2022-10-04 CN disclosed