SCHEMBL11345504

SCHEMBL11345504

Cc1ccc(NC(=O)Nc2ccc(C)c(C(=O)Nc3cc(S(=O)(=O)O)c4ccccc4c3O)c2)cc1C(=O)Nc1cc(S(=O)(=O)O)c2ccccc2c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 3/20 0.42
KCNJ5 P48544 3/20 0.42
KCNJ3 P48549 3/20 0.42
HPSE Q9Y251 2/20 0.42
PRMT1 Q99873 2/20 0.42
MEN1 O00255 1/20 0.42
ENPP3 O14638 1/20 0.42
ENTPD3 O75355 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
PRKD3 O94806 1/20 0.42
TDP2 O95551 1/20 0.42
CBX7 O95931 1/20 0.42
NSD2 O96028 1/20 0.42
ESR1 P03372 1/20 0.42
PRKCG P05129 1/20 0.42
CYP1A2 P05177 1/20 0.42
PRKCB P05771 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL10905295 0.93 PPARG (0.41) CYP1A2MAPTKMT2AHSD17B10PPARG
SCHEMBL11347713 0.91 KCNJ6 (0.42) KCNJ6KCNJ5KCNJ3HPSEPRMT1
SCHEMBL11345079 0.89 HPSE (0.47) KCNJ6KCNJ5KCNJ3HPSEPRMT1
SCHEMBL11337824 0.85 HPSE (0.45) KCNJ6KCNJ5KCNJ3HPSEPRMT1
SCHEMBL11430487 0.85 HPSE (0.43) KCNJ6KCNJ5KCNJ3HPSEPRMT1
SCHEMBL11338996 0.84 CA12 (0.43) KCNJ6KCNJ5KCNJ3PRMT1MEN1
SCHEMBL10908768 0.84 PPARG (0.41) CYP1A2MAPTKMT2AHSD17B10PPARG
SCHEMBL10907522 0.83 HPSE (0.41) HPSEPRMT1MEN1ENPP3ENTPD3
SCHEMBL11355263 0.82 TIMP3 (0.54) HPSEPRMT1MEN1USP2TIMP3
SCHEMBL10823457 0.82 IDH1 (0.56) IDH1

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-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
EP-0013784-A1 C-Substituted naphthalenemonosulfonic ureides, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-08-06 EP disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed