SCHEMBL31662443

SCHEMBL31662443

Cc1ccc(S(=O)(=O)n2cc(I)c3c(-c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)cncc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.44
▸ HTR6 P50406 1/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ KCNA1 Q09470 3/20 0.37
▸ KCNAB1 Q14722 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MMP13 P45452 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 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
SCHEMBL31662630 0.92 ESR2 (0.46) ESR2HTR6NR1H2KCNA1KCNAB1
SCHEMBL30280405 0.78 ESR2 (0.44) ESR2HTR6NR1H2KCNA1KCNAB1
SCHEMBL25304050 0.77 HTR6 (0.39) ESR2HTR6NR1H2MMP13GPR119
SCHEMBL30381434 0.77 HTR6 (0.39) ESR2HTR6NR1H2MMP13GPR119
SCHEMBL31662624 0.76 ESR2 (0.51) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL21593085 0.75 MAPT (0.37) ESR2HTR6NR1H2ALDH1A1HPGD
SCHEMBL15778729 0.74 BRD4 (0.47) ESR2HTR6NR1H2JAK2JAK3
SCHEMBL21593084 0.74 NR1H2 (0.42) ESR2HTR6NR1H2ALDH1A1HPGD
SCHEMBL21593086 0.74 NR1H2 (0.44) ESR2HTR6NR1H2ALDH1A1HPGD
SCHEMBL31662722 0.72 ESR2 (0.52) ESR2NR1H2JAK2JAK3PTK2

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-2025151449-A1 BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-07-17 — — WO disclosed
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