SCHEMBL11625123

SCHEMBL11625123

O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccccc6)nc(Nc6ccccc6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.49
SNCA P37840 1/20 0.48
RHOA P61586 1/20 0.48
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NSD2 O96028 2/20 0.45
CASP6 P55212 2/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
CASP7 P55210 1/20 0.45
PTPN11 Q06124 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL168451 1.00 ENPP2 (0.49) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL168452 1.00 ENPP2 (0.49) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL2221661 0.99 ENPP2 (0.48) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL2221705 0.99 SNCA (0.50) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL1169592 0.99 ENPP2 (0.48) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL1447494 0.99 ENPP2 (0.48) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL5329884 0.95 ENPP2 (0.45) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL16363739 0.95 SNCA (0.53) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL5329908 0.95 ENPP2 (0.45) ENPP2SNCARHOATNNI3TNNT2
SCHEMBL16374887 0.95 SNCA (0.53) ENPP2SNCARHOATNNI3TNNT2

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-4125413-A Dispersion of polycyclic vat-dye pigment with N,N'-disubstituted diaminostilbene sulfonic acid fluidizing agent IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-11-14 US disclosed