SCHEMBL30250179

SCHEMBL30250179

CNCc1cn(S(=O)(=O)c2ccc(C)nc2)c(-c2ccc(F)cc2F)c1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.37
▸ PTGS2 P35354 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SCN9A Q15858 4/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ P2RX7 Q99572 3/20 0.33
▸ KIT P10721 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL25314470 1.00 SLC6A4 (0.37) SLC6A4PTGS2PTGS1SCN9ASLC6A2
SCHEMBL30250130 0.91 MEN1 (0.37) PTGS2PTGS1SCN9AP2RX7KMT2A
SCHEMBL26650833 0.91 MEN1 (0.37) PTGS2PTGS1SCN9AP2RX7KMT2A
SCHEMBL28996377 0.89 SLC6A2 (0.35) SLC6A4PTGS2PTGS1SLC6A2SLC6A3
SCHEMBL30287358 0.89 PTGS2 (0.40) PTGS2PTGS1SCN9AP2RX7KIT
SCHEMBL30250036 0.89 SLC6A2 (0.35) SLC6A4PTGS2PTGS1SLC6A2SLC6A3
SCHEMBL28996389 0.89 PTGS2 (0.40) PTGS2PTGS1SCN9AP2RX7KIT
SCHEMBL27200255 0.89 HTR6 (0.39) PTGS2PTGS1KMT2APOLBHTR6
SCHEMBL25518667 0.87 POLB (0.40) KMT2APOLBHTR6
SCHEMBL30427346 0.85 MEN1 (0.36) PTGS2PTGS1SCN9AP2RX7KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115884968-B Novel acid secretion inhibitor and use thereof 日东制药株式会社 2024-06-21 — — CN claimed
CN-115884968-A Novel acid secretion inhibitor and use thereof 日东制药株式会社 2023-03-31 — — CN claimed
EP-4148050-B1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2024-12-18 — — EP disclosed
CN-115884968-B Novel acid secretion inhibitor and use thereof 日东制药株式会社 2024-06-21 — — CN disclosed
CN-115884968-A Novel acid secretion inhibitor and use thereof 日东制药株式会社 2023-03-31 — — CN disclosed
EP-4148050-A1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2023-03-15 — — EP disclosed
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