SCHEMBL11340801

SCHEMBL11340801

Cc1cc(Nc2cccc3c(S(=O)(=O)O)ccc(O)c23)ccc1C(=O)NC(=O)NC(=O)c1ccc(Nc2cccc3c(S(=O)(=O)O)ccc(O)c23)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 4/20 0.47
SNCA P37840 2/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
AURKB Q96GD4 2/20 0.39
AURKA O14965 1/20 0.39
TIMP3 P35625 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PRKD3 O94806 2/20 0.38
USP2 O75604 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ENPP3 O14638 1/20 0.38
ENTPD3 O75355 1/20 0.38
NR1I2 O75469 1/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL11341770 0.96 HPSE (0.49) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11346496 0.92 HPSE (0.47) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11343432 0.89 HPSE (0.45) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11338799 0.89 SNCA (0.47) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11348600 0.88 SNCA (0.51) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11339238 0.84 HPSE (0.41) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11341048 0.84 MAPK14 (0.43) HPSESNCATIMP3MEN1KMT2A
SCHEMBL10823469 0.83 HPSE (0.46) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11338934 0.83 TNNI3 (0.54) HPSESNCATNNI3TNNT2TNNC1
SCHEMBL11342047 0.82 HPSE (0.46) HPSESNCAAURKBAURKATIMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed