SCHEMBL11344916

SCHEMBL11344916

O=C(Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1)Nc1cccc(C(=O)Nc2cccc3cc(S(=O)(=O)O)cc(O)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 4/20 0.62
TIMP3 P35625 6/20 0.62
KMT2A Q03164 6/20 0.62
RECQL P46063 5/20 0.62
HSD17B10 Q99714 5/20 0.62
TDP1 Q9NUW8 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 3/20 0.62
USP2 O75604 2/20 0.62
HPSE Q9Y251 4/20 0.54
MAPT P10636 4/20 0.54
PKM P14618 4/20 0.54
P2RX1 P51575 3/20 0.54
P2RX3 P56373 3/20 0.54
PRMT1 Q99873 2/20 0.54
BRCA1 P38398 2/20 0.54
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
ENPP3 O14638 1/20 0.54
ENTPD3 O75355 1/20 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
SCHEMBL10909042 0.93 APEX1 (0.62) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL11590673 0.92 APEX1 (0.74) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL11689238 0.92 APEX1 (0.74) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL14107310 0.91 APEX1 (0.72) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL11590648 0.91 APEX1 (0.72) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL14107314 0.91 APEX1 (0.72) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL11339227 0.91 APEX1 (0.62) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL11351805 0.90 APEX1 (0.63) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL13619183 0.87 APEX1 (0.81) APEX1TIMP3KMT2ARECQLHSD17B10
SCHEMBL10904451 0.86 APEX1 (0.79) APEX1TIMP3KMT2ARECQLHSD17B10

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