SCHEMBL11618474

SCHEMBL11618474

CC(O)Nc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5ccccc5)nc(NC(C)O)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 10/20 0.46
ENPP2 Q13822 2/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SNCA P37840 1/20 0.40
RHOA P61586 1/20 0.40
CTSK P43235 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
CHAT P28329 1/20 0.38
TTR P02766 1/20 0.38
FABP4 P15090 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK14 Q16539 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
SCHEMBL16374878 1.00 KCNH3 (0.46) KCNH3ENPP2CA1CA2CA9
SCHEMBL16374914 0.93 ENPP2 (0.45) KCNH3ENPP2CA1CA2CA9
SCHEMBL16374911 0.91 CA1 (0.45) KCNH3ENPP2CA1CA2CA9
SCHEMBL168452 0.89 ENPP2 (0.49) ENPP2CA1CA2CA9SNCA
SCHEMBL11625123 0.89 ENPP2 (0.49) ENPP2CA1CA2CA9SNCA
SCHEMBL168451 0.89 ENPP2 (0.49) ENPP2CA1CA2CA9SNCA
SCHEMBL16671688 0.89 RAD51 (0.49) KCNH3CA1CA2CA9RHOA
SCHEMBL1169592 0.88 ENPP2 (0.48) ENPP2CA1CA2CA9SNCA
SCHEMBL2221661 0.88 ENPP2 (0.48) ENPP2CA1CA2CA9SNCA
SCHEMBL2221705 0.88 SNCA (0.50) ENPP2CA1CA2CA9SNCA

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 2 patents. 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 claimed
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