SCHEMBL28996384

SCHEMBL28996384

COC(=O)c1cn(S(=O)(=O)c2ccc(OC)nc2)c(-c2ccc(F)cc2F)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALPL P05186 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ GCK P35557 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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
SCHEMBL30287336 1.00 KMT2A (0.38) KMT2AMEN1PABPC1KDM4EALDH1A1
SCHEMBL28996387 0.91 PTGS2 (0.38) KMT2AMEN1ALDH1A1ALPLSCN9A
SCHEMBL30287367 0.91 PTGS2 (0.38) KMT2AMEN1ALDH1A1ALPLSCN9A
SCHEMBL31019957 0.89 KMT2A (0.37) KMT2AMEN1PABPC1KDM4EALDH1A1
SCHEMBL25228488 0.89 KMT2A (0.41) KMT2AMEN1PABPC1KDM4EUSP2
SCHEMBL30287347 0.89 KMT2A (0.41) KMT2AMEN1PABPC1KDM4EUSP2
SCHEMBL28997127 0.86 MEN1 (0.36) KMT2AMEN1PABPC1USP2SCN9A
SCHEMBL30287349 0.86 MEN1 (0.36) KMT2AMEN1PABPC1USP2SCN9A
SCHEMBL31019969 0.85 POLB (0.44) KMT2AMEN1KDM4EALPLGAA
SCHEMBL25188299 0.85 POLB (0.44) KMT2AMEN1KDM4EALPLGAA

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-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
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