SCHEMBL11432585

SCHEMBL11432585

O=C(O)c1cc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(O)c23)cc([N+](=O)[O-])c1.[Na].[Na]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.49
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
TDP1 Q9NUW8 3/20 0.48
USP2 O75604 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
APEX1 P27695 1/20 0.44
CD40 P25942 2/20 0.44
CD40LG P29965 2/20 0.44
MAPT P10636 4/20 0.42
HPSE Q9Y251 2/20 0.42
ENPP3 O14638 1/20 0.42
ENTPD3 O75355 1/20 0.42
NR1I2 O75469 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

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
SCHEMBL11438233 0.89 TIMP3 (0.60) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL10413972 0.88 TIMP3 (0.58) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11593396 0.88 TIMP3 (0.63) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL10413406 0.87 MEN1 (0.58) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11432583 0.86 F11 (0.46) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11418806 0.85 TIMP3 (0.63) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11444114 0.82 TIMP3 (0.46) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11425899 0.82 TIMP3 (0.56) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11408113 0.81 TIMP3 (0.49) TIMP3KMT2AMEN1TDP1USP2
SCHEMBL11444111 0.81 TIMP3 (0.45) TIMP3KMT2AMEN1TDP1USP2

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-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 US disclosed