SCHEMBL9549792

SCHEMBL9549792

O=S(=O)(O)OCCS(=O)(=O)c1ccccc1NCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.35
TTR P02766 1/20 0.34
FABP4 P15090 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADRA2C P18825 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
NR4A1 P22736 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
ADRA2A P08913 1/20 0.32
CA9 Q16790 3/20 0.32
APEX1 P27695 1/20 0.32
CA5A P35218 2/20 0.32
CA12 O43570 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL9401757 0.82 FABP4 (0.51) FABP1TTRFABP4CCNA2CDK2
SCHEMBL8573899 0.80 HSD17B10 (0.38) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL3708176 0.78 MYC (0.36) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8740691 0.77 EPHX2 (0.41) CDK2CA1CA2CA9APEX1
SCHEMBL13069611 0.76 KEAP1 (0.47) ALDH1A1KMT2A
SCHEMBL1170678 0.76 KYNU (0.47) TTRCA1CA2CA9APEX1
SCHEMBL27993338 0.74 ADRA2C (0.47) ADRA2CADRA1DADRA1AADRA1BCA1
SCHEMBL3379116 0.74 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL7963753 0.73 CA1 (0.47) CA1CA2CA9APEX1TSHR
SCHEMBL22375571 0.73 HTR6 (0.47) CA1CA2CA9CA12CA7

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-5256776-A Brilliant green dyeings; fiber reactive HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed