SCHEMBL11444025

SCHEMBL11444025

Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 6/20 0.46
TIMP3 P35625 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
USP2 O75604 2/20 0.46
RECQL P46063 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPSE Q9Y251 2/20 0.46
ENPP3 O14638 1/20 0.46
ENTPD3 O75355 1/20 0.46
NR1I2 O75469 1/20 0.46
PRKD3 O94806 1/20 0.46
TDP2 O95551 1/20 0.46
CBX7 O95931 1/20 0.46
NSD2 O96028 1/20 0.46
ESR1 P03372 1/20 0.46
PRKCG P05129 1/20 0.46

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
SCHEMBL11444026 0.92 TIMP3 (0.46) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11587244 0.92 TIMP3 (0.46) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11444114 0.89 TIMP3 (0.46) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11444111 0.88 TIMP3 (0.45) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11587242 0.88 P2RY11 (0.53) KMT2AMEN1GAAPOLBMAPT
SCHEMBL10413972 0.85 TIMP3 (0.58) KMT2AMEN1MAPTTIMP3TDP1
SCHEMBL11136276 0.84 APEX1 (0.55) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11588104 0.83 TIMP3 (0.59) KMT2AMEN1GAAPOLBMAPT
SCHEMBL11433049 0.83 TIMP3 (0.59) KMT2AMEN1GAAPOLBMAPT
SCHEMBL10413406 0.82 MEN1 (0.58) KMT2AMEN1POLBMAPTTIMP3

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