SCHEMBL8613300

SCHEMBL8613300

O=S(=O)(O)c1cccc(NC(=S)Nc2ccc(C=Cc3ccc(NC(=S)Nc4cccc(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAD1 O60671 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTPN7 P35236 1/20 0.40
▸ RAD51 Q06609 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL8614023 0.88 ENPP2 (0.57) ENPP2ALDH1A1MAPTCA1CA2
SCHEMBL8609312 0.82 ALDH1A1 (0.43) ALDH1A1MAPTNPSR1CA1CA2
SCHEMBL8613403 0.81 ENPP2 (0.59) ENPP2ALDH1A1MAPTNPSR1LMNA
SCHEMBL14361809 0.81 ENPP2 (0.62) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL14361802 0.81 ENPP2 (0.62) ENPP2ALDH1A1MAPTRAD1P2RY6
SCHEMBL10773614 0.81 CHAT (0.48) ENPP2CA1CA2CA9CA12
SCHEMBL10487283 0.81 CHAT (0.48) ENPP2CA1CA2CA9CA12
SCHEMBL10773637 0.81 CHAT (0.48) ENPP2CA1CA2CA9CA12
SCHEMBL9358989 0.81 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1CA1CA2
SCHEMBL10487256 0.80 CHAT (0.48) ENPP2CA1CA2CA9CA12

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 6 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
US-5359131-A Sulfonic acid derivatives in the treatment of viral diseases MERRELL DOW PHARMACEUTICALS INC. (US) 1994-10-25 — — US 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
Send feedback