SCHEMBL7594590

SCHEMBL7594590

C=Cc1ccc(S(=O)(=O)OCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.50
CA2 P00918 8/20 0.50
CA9 Q16790 4/20 0.50
CA12 O43570 5/20 0.43
CA7 P43166 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
AKR1B10 O60218 3/20 0.37
AKR1B1 P15121 3/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 2/20 0.36
CA4 P22748 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HTR6 P50406 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 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
SCHEMBL28194590 0.84 CA2 (0.47) CA1CA2CA9CA12CA7
SCHEMBL2476597 0.84 CA1 (0.63) CA1CA2CA9CA12CA7
SCHEMBL14275049 0.80 TDP1 (0.50) CA1CA2CA9CA12CA7
SCHEMBL241683 0.80 CA9 (0.54) CA1CA2CA9CA12CA7
SCHEMBL29159480 0.78 CA2 (0.43) CA1CA2CA9CA12CA7
SCHEMBL10805799 0.78 CA2 (0.53) CA1CA2CA9CA12CA7
SCHEMBL1617948 0.78 TDP1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL4903485 0.78 TDP1 (0.47) CA1CA2CA9CA12CA7
SCHEMBL6115133 0.77 TDP1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL7589721 0.76 TDP1 (0.50) CA1CA9CA12TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413694-B1 A POSITIVE-WORKING IMAGING MEMBER IS COMPOSED OF A HEAT-SENSITIVE SURFACE IMAGEABLE LAYER HAVING A HEAT-SENSITIVE POLYMER CONTAINING HEAT ACTIVATABLE SULFOIMINO, SULOALKYL OR SULFOAMIDE GROUP; A PHOTOTHERMAL CONVERSION DYE OR KODAK POLYCHROME GRAPHICS LLC 2002-07-02 US disclosed
US-20020048718-A1 PROCESSLESS IMAGING MEMBER CONTAINING HEAT SENSITIVE SULFONATE POLYMER AND METHODS OF USE KODAK (NEAR EAST) INC. 2002-04-25 US disclosed
EP-1084861-A2 Processless imaging material containing heat-sensitive sulphonate polymer Kodak Polychrome Graphics Company Ltd. (US) 2001-03-21 EP disclosed