SCHEMBL28996381

SCHEMBL28996381

[CH2]c1cn(S(=O)(=O)c2ccc(C)nc2)c(-c2ccccc2F)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH3A1 P30838 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ATM Q13315 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
SCHEMBL30250036 0.83 SLC6A2 (0.35) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL28996377 0.83 SLC6A2 (0.35) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL28996437 0.80 NFE2L2 (0.35) PTGS2PTGS1ALDH3A1POLBNPC1
SCHEMBL30250228 0.76 ATM (0.35) SMN1; SMN2MEN1KMT2AHTR2AHTR2C
SCHEMBL25275117 0.76 OXTR (0.38) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL31522099 0.76 AVPR2 (0.40) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL30287307 0.76 OXTR (0.38) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL26697786 0.76 AVPR2 (0.40) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL26871192 0.75 AVPR2 (0.40) PTGS2PTGS1TSHRSMN1; SMN2HTT
SCHEMBL30287347 0.74 KMT2A (0.41) TSHRSMN1; SMN2HTTLMNAMEN1

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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