SCHEMBL31448244

SCHEMBL31448244

O=C(O)c1cccc2cc(OS(=O)(=O)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.54
▸ NR4A1 P22736 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49
▸ CDC25B P30305 4/20 0.48
▸ TBXAS1 P24557 1/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PDE4B Q07343 1/20 0.37
▸ MEN1 O00255 1/20 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
SCHEMBL18532792 0.80 CA1 (0.43) CA1CA2CA9L3MBTL1GAA
SCHEMBL3608536 0.79 MEN1 (0.54) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL2510203 0.78 CDC25B (0.64) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL31613816 0.78 CDC25B (0.64) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL2099558 0.76 PTPN1 (0.57) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL9286687 0.76 PTPN1 (0.57) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL6562624 0.75 PTPN7 (0.64) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL22741861 0.75 PTPN1 (0.55) PTPN1NR4A1NR4A2NR4A3CDC25B
SCHEMBL272962 0.74 PDE4B (0.51) PTPN1CDC25BKDM4EALDH1A1HPGD
SCHEMBL17318166 0.73 CA1 (0.66) KDM4ECA1CA2CA9MEN1

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
CN-119708120-A Compound for targeting prostate specific membrane antigen and preparation method and application thereof 复旦大学附属肿瘤医院 2025-03-28 — — CN disclosed
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