SCHEMBL7074703

SCHEMBL7074703

CC(=O)CC(=O)Nc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.71
CA2 P00918 6/20 0.71
CA7 P43166 2/20 0.71
CA4 P22748 1/20 0.71
MAPT P10636 3/20 0.56
ATM Q13315 1/20 0.53
POLB P06746 3/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
PRMT1 Q99873 1/20 0.49
TIMP3 P35625 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL2220428 0.98 CA1 (0.73) CA1CA2CA7CA4MAPT
SCHEMBL6555677 0.97 CA1 (0.71) CA1CA2CA7CA4MAPT
Potassium SCHEMBL29819348 0.97 CA1 (0.71) CA1CA2CA7CA4MAPT
SCHEMBL11586347 0.89 CA1 (0.61) CA1CA2CA7CA4MAPT
SCHEMBL13306091 0.86 CA1 (0.75) CA1CA2CA7CA4MAPT
SCHEMBL28623849 0.85 CA1 (0.57) CA1CA2CA7CA4MAPT
SCHEMBL28623846 0.85 CA1 (0.57) CA1CA2CA7CA4MAPT
SCHEMBL3906876 0.84 ATM (0.74) CA1CA2MAPTATMTSHR
SCHEMBL11335884 0.84 MEN1 (0.68) CA1CA2CA7CA4MAPT
SCHEMBL593172 0.83 MAPT (0.74) CA1CA2CA7CA4MAPT

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-1146088-B1 Method of producing disazo pigment TOYO INK MFG CO (JP) 2003-07-02 EP disclosed
US-20010041793-A1 Method of producing disazo pigment TOYO INK MFG. CO., LTD. (JP) 2001-11-15 US disclosed
EP-1146088-A1 Method of producing disazo pigment Toyo Ink Manufacturing Co. Ltd. (JP) 2001-10-17 EP disclosed
US-6303762-B1 COUPLING A TETRAZO BENZIDINES AND A MIXTURE OF N-PHENYLACETOACETAMIDES TOYO INK MFG. CO., LTD. (JP) 2001-10-16 US disclosed