SCHEMBL31025636

SCHEMBL31025636

COc1nc(NS(=O)(=O)c2c[nH]c3c2ccc2cc[nH]c23)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 13/20 0.39
▸ SGK1 O00141 2/20 0.38
▸ SCN1A P35498 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN8A Q9UQD0 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35

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
SCHEMBL31025627 0.91 SGK1 (0.36) CCR4SGK1SCN1ASCN5ASCN8A
SCHEMBL31025594 0.90 CCR4 (0.42) CCR4SGK1
SCHEMBL31025609 0.90 SGK1 (0.38) CCR4SGK1SCN1ASCN5ASCN8A
SCHEMBL31025665 0.89 CCR4 (0.34) CCR4SGK1SCN1ASCN5ASCN8A
SCHEMBL30286668 0.87 CCR4 (0.42) CCR4SGK1
SCHEMBL20354892 0.87 CCR4 (0.42) CCR4SGK1
SCHEMBL30286539 0.87 CCR4 (0.44) CCR4SGK1
SCHEMBL20354816 0.87 CCR4 (0.44) CCR4SGK1EIF2AK4
SCHEMBL20355186 0.87 CCR4 (0.44) CCR4SGK1
SCHEMBL31025580 0.87 CCR4 (0.38) CCR4SGK1EIF2AK4

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
WO-2024153233-A1 COMPOUNDS AND THEIR USES AS GPR17 ANTAGONISTS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2024-07-25 — — WO claimed
WO-2024153233-A1 COMPOUNDS AND THEIR USES AS GPR17 ANTAGONISTS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2024-07-25 — — WO disclosed
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