SCHEMBL10487271

SCHEMBL10487271

O=S(=O)(O)c1cccc(Nc2nc(Nc3cccc(S(=O)(=O)O)c3)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cccc(S(=O)(=O)O)c6)nc(Nc6cccc(S(=O)(=O)O)c6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)c1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 4/20 0.48
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
ENPP2 Q13822 2/20 0.45
SNCA P37840 2/20 0.44
NSD2 O96028 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
PTPN11 Q06124 1/20 0.41
TNNI3K Q59H18 2/20 0.40
RAD51 Q06609 1/20 0.39
USP2 O75604 1/20 0.39
APEX1 P27695 1/20 0.39
RHOA P61586 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL10487256 1.00 CHAT (0.48) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL10773614 0.99 CHAT (0.48) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL10487283 0.99 CHAT (0.48) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL10773637 0.99 CHAT (0.48) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL17565763 0.95 CHAT (0.46) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL2204783 0.93 CHAT (0.56) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL2204088 0.93 CHAT (0.56) CHATENPP3ENPP1ENPP2SNCA
Potassium SCHEMBL2205023 0.92 CHAT (0.55) CHATENPP3ENPP1ENPP2SNCA
SCHEMBL10487244 0.90 RECQL (0.46) CHATENPP3ENPP1ENPP2CA12
SCHEMBL19535051 0.90 RECQL (0.46) CHATENPP3ENPP1ENPP2CA12

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