SCHEMBL9011489

SCHEMBL9011489

[NH]c1nc(F)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 0.39
HPGDS O60760 1/20 0.39
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA12 O43570 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA13 Q8N1Q1 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
APEX1 P27695 2/20 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
SCHEMBL8057706 0.90 TTR (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL11426909 0.90 CDK2 (0.44) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8076324 0.83 CA12 (0.39) CA1CA2CA12CA4CA6
SCHEMBL6562150 0.79 CDK2 (0.43) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL4649932 0.78 TTR (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL10589718 0.76 HPGDS (0.52) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL12052716 0.76 HPGDS (0.45) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL9799399 0.76 HPGDS (0.49) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8660350 0.75 HPGDS (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8055072 0.75 TSHR (0.57) TTRFABP4CCNA2CDK2MAPK14

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-5559215-A Black mixture of fibre-reactive azo dyes containing essentially a navy-blue disazo dye and an orange monoazo dye, as well as novel fibre-reactive phenylazonaphthol dyes containing A 2-(2'-sufophenylamino)-4-fluoro-1,3,5-triazin-6-ylamino group HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-24 US disclosed