SCHEMBL28996379

SCHEMBL28996379

COc1ccc(S(=O)(=O)n2cc(C=O)c(OC)c2-c2ccc(F)cc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.41
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ OXTR P30559 1/20 0.34
▸ AVPR1A P37288 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ GCK P35557 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30287363 1.00 ERN1 (0.41) ERN1MEN1KMT2APABPC1PTGS1
SCHEMBL26651006 0.90 PTGS2 (0.36) MEN1KMT2APTGS1PTGS2KCNH2
SCHEMBL30287361 0.90 PTGS2 (0.36) MEN1KMT2APTGS1PTGS2KCNH2
SCHEMBL30287307 0.88 OXTR (0.38) ERN1MEN1KMT2APABPC1PTGS1
SCHEMBL31019967 0.88 ERN1 (0.40) ERN1MEN1KMT2APABPC1PTGS1
SCHEMBL25275117 0.88 OXTR (0.38) ERN1MEN1KMT2APABPC1PTGS1
SCHEMBL25199320 0.88 ERN1 (0.40) ERN1MEN1KMT2APABPC1PTGS1
SCHEMBL25189031 0.85 POLB (0.40) ERN1KMT2APTGS1PTGS2KCNH2
SCHEMBL31019968 0.85 POLB (0.40) ERN1KMT2APTGS1PTGS2KCNH2
SCHEMBL28997127 0.84 MEN1 (0.36) MEN1KMT2APABPC1PTGS1PTGS2

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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