SCHEMBL30250036

SCHEMBL30250036

CNCc1cn(S(=O)(=O)c2ccc(C)nc2)c(-c2ccccc2F)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.35
▸ SLC6A4 P31645 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ PTGS2 P35354 3/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ HTR6 P50406 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL28996377 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3PTGS2ALOX12
Padoprazan SCHEMBL25225599 0.91 AVPR2 (0.39) PTGS2PTGS1HTR6SMN1; SMN2ATM
Padoprazan SCHEMBL30250197 0.91 AVPR2 (0.39) PTGS2PTGS1HTR6SMN1; SMN2ATM
SCHEMBL30250179 0.89 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3PTGS2ALOX12
SCHEMBL25314470 0.89 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3PTGS2ALOX12
Padoprazan SCHEMBL30985953 0.84 AVPR2 (0.36) HTR6MEN1KMT2A
SCHEMBL28996381 0.83 PTGS2 (0.35) PTGS2PTGS1SMN1; SMN2LMNAATM
SCHEMBL29241023 0.82 KAT6A (0.34) PTGS2PTGS1ALDH1A1MDM2HTR6
SCHEMBL30427353 0.81 CHRNB4 (0.37) ALDH1A1HTR6HTTKMT2A
SCHEMBL18196881 0.81 MAPK1 (0.44) ALDH1A1MDM2HTR6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4148050-B1 NOVEL ACID SECRETION INHIBITOR AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2024-12-18 — — EP claimed
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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