SCHEMBL11345458

SCHEMBL11345458

Cc1cc(C(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)ccc1NC(=O)Nc1ccc(C(=O)Nc2c(S(=O)(=O)O)ccc3c(O)cccc23)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 5/20 0.48
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TIMP3 P35625 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
RECQL P46063 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 3/20 0.45
USP2 O75604 2/20 0.45
P2RY11 Q96G91 2/20 0.45
PKM P14618 2/20 0.45
BRCA1 P38398 2/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
ENPP3 O14638 1/20 0.45
ENTPD3 O75355 1/20 0.45
NR1I2 O75469 1/20 0.45
PRKD3 O94806 1/20 0.45
TDP2 O95551 1/20 0.45
CBX7 O95931 1/20 0.45

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
SCHEMBL10908078 0.94 HPSE (0.44) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11348931 0.89 HPSE (0.45) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11344823 0.87 HPSE (0.46) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11435238 0.86 AURKA (0.44) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11343444 0.85 HPSE (0.52) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11344516 0.85 TRPV1 (0.49) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11345247 0.85 HPSE (0.43) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11350700 0.84 HPSE (0.45) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11341781 0.84 HPSE (0.55) HPSEMEN1KMT2ATIMP3TDP1
SCHEMBL11438679 0.84 AURKA (0.41) HPSEMEN1KMT2ATIMP3TDP1

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