SCHEMBL8077342

SCHEMBL8077342

CNCNc1ccccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
TTR P02766 1/20 0.41
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR6 P50406 1/20 0.41
NR4A1 P22736 1/20 0.41
MYC P01106 1/20 0.40
CA9 Q16790 4/20 0.39
CA12 O43570 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ADRA1A P35348 4/20 0.38
HSD17B10 Q99714 1/20 0.37
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4726651 0.83 TTR (0.42) CA1CA2TTRFABP4CCNA2
SCHEMBL35949 0.80 HTR6 (0.60) CA1CA2TTRFABP4CCNA2
SCHEMBL7520863 0.80 L3MBTL1 (0.50) CA1CA2TTRFABP4CCNA2
SCHEMBL11845752 0.80 TTR (0.41) CA1CA2TTRFABP4CCNA2
Hydrochloric Acid SCHEMBL28173629 0.79 HTR6 (0.58) CA1CA2TTRFABP4CCNA2
SCHEMBL11139997 0.78 KDM4E (0.47) CA1CA2TTRFABP4CCNA2
SCHEMBL10602286 0.77 CCNA2 (0.39) CA1CA2TTRFABP4CCNA2
SCHEMBL27278463 0.77 L3MBTL1 (0.62) CA1CA2CA9CA12L3MBTL1
SCHEMBL7514004 0.77 L3MBTL1 (0.58) CA1CA2CA9CA12L3MBTL1
SCHEMBL27615953 0.77 CA1 (0.46) CA1CA2TTRFABP4CCNA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027387-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 2000-08-16 EP disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
WO-1999023169-A1 DOUBLE REACTIVE DYES BASF AKTIENGESELLSCHAFT (DE) 1999-05-14 WO disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed