SCHEMBL7094785

SCHEMBL7094785

C=C(CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.62
CA1 P00915 15/20 0.59
CA12 O43570 12/20 0.59
CA9 Q16790 12/20 0.59
CA7 P43166 9/20 0.58
CA4 P22748 8/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA5A P35218 2/20 0.54
CA14 Q9ULX7 2/20 0.54

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
SCHEMBL15913775 0.92 CA2 (0.61) CA2CA1CA12CA9CA7
SCHEMBL8545908 0.88 CA2 (0.47) CA2CA1CA12CA9CA7
SCHEMBL5682291 0.81 MAOA (0.50) CA2CA1CA12CA9CA7
SCHEMBL2314772 0.81 EPHX1 (0.55) CA2CA1CA12CA9KMT2A
SCHEMBL8550324 0.80 ALDH1A1 (0.56) CA2CA1CA12CA9CA7
SCHEMBL8549863 0.80 GHSR (0.49) CA2CA1CA12CA9CA7
SCHEMBL28804273 0.79 KMT2A (0.67) CA2CA1CA12CA9CA7
SCHEMBL5176824 0.79 CA1 (0.65) CA2CA1CA12CA9CA7
SCHEMBL8549784 0.77 S1PR1 (0.40) CA2CA4KMT2AALDH1A1KDM4E
SCHEMBL28499329 0.75 KMT2A (1.00) CA2CA1CA12CA9CA7

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
EP-0737896-B1 Photosensitive composition and photosensitive planographic printing plate KODAK POLYCHROME GRAPHICS JP (JP) 2003-08-27 EP disclosed
US-5731127-A WEAR RESISTANCE, SOLVENT RESISTANCE DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-03-24 US disclosed
EP-0737896-A2 Photosensitive composition and photosensitive planographic printing plate DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-10-16 EP disclosed