SCHEMBL30456445

SCHEMBL30456445

COc1ccc(S(=O)(=O)n2ccc(OC)c2-c2ccccc2F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 2/20 0.41
▸ OXTR P30559 2/20 0.41
▸ AVPR1A P37288 2/20 0.41
▸ EPHB4 P54760 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR6 P50406 4/20 0.37

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
SCHEMBL30427455 0.87 MEN1 (0.40) OXTRAVPR1APTGS1PTGS2MEN1
SCHEMBL30427210 0.83 MEN1 (0.39) OXTRAVPR1APTGS1PTGS2MEN1
SCHEMBL31522099 0.79 AVPR2 (0.40) AVPR2OXTRAVPR1AEPHB4PTGS1
SCHEMBL26697786 0.79 AVPR2 (0.40) AVPR2OXTRAVPR1AEPHB4PTGS1
SCHEMBL30287307 0.79 OXTR (0.38) AVPR2OXTRAVPR1AEPHB4PTGS1
SCHEMBL25275117 0.79 OXTR (0.38) AVPR2OXTRAVPR1AEPHB4PTGS1
SCHEMBL26871192 0.78 AVPR2 (0.40) AVPR2OXTRAVPR1AEPHB4PTGS1
SCHEMBL25228488 0.77 KMT2A (0.41) AVPR2OXTRAVPR1AEPHB4MEN1
SCHEMBL30287347 0.77 KMT2A (0.41) AVPR2OXTRAVPR1AEPHB4MEN1
Padoprazan SCHEMBL25225599 0.77 AVPR2 (0.39) AVPR2OXTRAVPR1AEPHB4PTGS1

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
WO-2023229322-A1 METHOD FOR PREPARING 6-METHOXYPYRIDIN-3-YL DERIVATIVES 일동제약(주) 2023-11-30 — — WO disclosed
WO-2023113474-A1 NOVEL SALT OF 1-SULFONYL PYRROLE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 일동제약(주) 2023-06-22 — — WO disclosed
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