SCHEMBL11017239

SCHEMBL11017239

O=S(=O)(O)c1n[c]nc(Nc2ccccc2S(=O)(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
FABP4 P15090 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK14 Q16539 1/20 0.40
NR4A1 P22736 1/20 0.40
HPGDS O60760 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
CASP6 P55212 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NSD2 O96028 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
APEX1 P27695 1/20 0.35
APOBEC3A P31941 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL4649932 0.84 TTR (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL4650519 0.84 HPGDS (0.45) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10777078 0.82 TIMP3 (0.40) HPGDSCASP6KDM4ENSD2ALDH1A1
SCHEMBL7899594 0.74 CDK2 (0.42) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10779303 0.73 SNCA (0.44) CCNA2CDK2JAK2JAK3PTK2
SCHEMBL285816 0.73 HPGDS (0.57) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11426909 0.73 CDK2 (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8055072 0.73 TSHR (0.57) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8057706 0.73 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL4649879 0.71 TSHR (0.38) HPGDSJAK2JAK3PTK2KDM4E

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
EP-0135381-A1 Reactive dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-03-27 EP disclosed