SCHEMBL10487296

SCHEMBL10487296

O=S(=O)(O)c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(S(=O)(=O)O)cc6)nc(N(CCO)CCO)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)nc(N(CCO)CCO)n2)cc1.[Na]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.45
▸ CA2 P00918 11/20 0.45
▸ CA9 Q16790 11/20 0.45
▸ CA12 O43570 7/20 0.45
▸ ENPP2 Q13822 1/20 0.39
▸ CHAT P28329 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CA14 Q9ULX7 4/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ SNCA P37840 2/20 0.35
▸ TERT O14746 1/20 0.35
▸ RAD51 Q06609 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL2200283 1.00 CA1 (0.45) CA1CA2CA9CA12ENPP2
SCHEMBL14433917 1.00 CA1 (0.45) CA1CA2CA9CA12ENPP2
SCHEMBL30771190 1.00 CA1 (0.45) CA1CA2CA9CA12ENPP2
SCHEMBL10487248 0.99 CA1 (0.44) CA1CA2CA9CA12ENPP2
SCHEMBL10487261 0.99 CA1 (0.44) CA1CA2CA9CA12ENPP2
SCHEMBL17255096 0.99 CA1 (0.44) CA1CA2CA9CA12ENPP2
SCHEMBL16363740 0.96 CA1 (0.42) CA1CA2CA9CA12ENPP2
SCHEMBL16784076 0.95 CA1 (0.44) CA1CA2CA9CA12ENPP2
SCHEMBL17550068 0.94 CA9 (0.51) CA1CA2CA9CA12CHAT
SCHEMBL2202619 0.94 CHAT (0.43) CA1CA2CA9CA12ENPP2

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
US-4820637-A Detection of fungi and/or algae with stilbene having at least 4 sulpho groups CIBA-GEIGY CORPORATION (US) 1989-04-11 — — US disclosed
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