SCHEMBL8614023

SCHEMBL8614023

O=S(=O)(O)c1ccc(NC(=S)Nc2ccc(C=Cc3ccc(NC(=S)Nc4ccc(S(=O)(=O)O)cc4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.57
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ RAD1 O60671 1/20 0.43
▸ P2RY6 Q15077 1/20 0.43
▸ PTPN7 P35236 2/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA4 P22748 1/20 0.42
▸ RAD51 Q06609 3/20 0.41
▸ TIMP3 P35625 1/20 0.40

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
SCHEMBL8613300 0.88 ENPP2 (0.53) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL8613403 0.87 ENPP2 (0.59) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL14361809 0.84 ENPP2 (0.62) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL14361802 0.84 ENPP2 (0.62) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL16454189 0.82 ENPP2 (0.55) ENPP2ALDH1A1RAD1P2RY6RAD51
SCHEMBL14361680 0.81 ENPP2 (0.58) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL14361673 0.81 ENPP2 (0.58) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL8610771 0.80 ALDH1A1 (0.44) ALDH1A1MAPTPTPN7CA1CA2
SCHEMBL14358754 0.79 ENPP2 (0.74) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL14358753 0.79 ENPP2 (0.55) ENPP2ALDH1A1MAPTRAD1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626945-B1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL PHARMA INC (US) 1998-04-22 — — EP claimed
EP-0626945-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL PHARMACEUTICALS INC. (US) 1994-12-07 — — EP claimed
US-5359131-A Sulfonic acid derivatives in the treatment of viral diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-25 — — US claimed
WO-1993016992-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-02 — — WO claimed
EP-0626945-B1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL PHARMA INC (US) 1998-04-22 — — EP disclosed
EP-0626945-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL PHARMACEUTICALS INC. (US) 1994-12-07 — — EP disclosed
US-5359131-A Sulfonic acid derivatives in the treatment of viral diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-25 — — US disclosed
WO-1993016992-A1 SULFONIC ACID DERIVATIVES IN THE TREATMENT OF VIRAL DISEASES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-02 — — WO disclosed
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