SCHEMBL26871192

SCHEMBL26871192

COc1ccc(S(=O)(=O)n2cc(C(C)=O)c(OC)c2-c2ccccc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 1/20 0.40
▸ OXTR P30559 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ GCK P35557 2/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ EIF2AK3 Q9NZJ5 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ USP2 O75604 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 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
SCHEMBL26697786 0.93 AVPR2 (0.40) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL31522099 0.93 AVPR2 (0.40) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL25228488 0.91 KMT2A (0.41) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL30287347 0.91 KMT2A (0.41) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL25275117 0.83 OXTR (0.38) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL30287307 0.83 OXTR (0.38) AVPR2OXTRAVPR1AGCKEPHB4
Padoprazan SCHEMBL25225599 0.81 AVPR2 (0.39) AVPR2OXTRAVPR1AGCKEPHB4
Padoprazan SCHEMBL30250197 0.81 AVPR2 (0.39) AVPR2OXTRAVPR1AGCKEPHB4
SCHEMBL30287336 0.80 KMT2A (0.38) GCKSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL28996384 0.80 KMT2A (0.38) GCKSMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229323-A1 METHOD FOR PREPARING 6-METHOXYPYRIDIN-3-YL DERIVATIVE 일동제약(주) 2023-11-30 — — WO disclosed
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