SCHEMBL11208714

SCHEMBL11208714

O=C(Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
NT5E P21589 1/20 0.60
ENPP2 Q13822 2/20 0.56
ATM Q13315 1/20 0.52
PRMT1 Q99873 1/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
CASP7 P55210 2/20 0.51
NSD2 O96028 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
CD40 P25942 2/20 0.51
CD40LG P29965 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CASP3 P42574 2/20 0.48

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
SCHEMBL11346743 0.99 CASP6 (0.59) CASP6CTDSP1NT5EENPP2ATM
SCHEMBL11431595 0.92 CASP6 (0.71) CASP6CTDSP1NT5EENPP2ATM
SCHEMBL11423173 0.92 CASP6 (0.53) CASP6CTDSP1NT5EENPP2ATM
SCHEMBL11212331 0.90 SIRT1 (0.54) CASP6CTDSP1NT5EATMPRMT1
SCHEMBL14418594 0.90 ATM (0.60) CASP6CTDSP1ATMRAB9AMAPT
SCHEMBL10908133 0.88 MEN1 (0.64) CASP6CTDSP1NT5ERAB9AMAPT
SCHEMBL11425915 0.86 CASP6 (0.63) CASP6CTDSP1ATMPRMT1RAB9A
SCHEMBL26885948 0.86 NT5E (0.68) CASP6CTDSP1NT5EENPP2PRMT1
SCHEMBL11211030 0.85 PRMT1 (0.67) CASP6CTDSP1NT5EENPP2PRMT1
SCHEMBL10905567 0.85 CASP6 (0.67) CASP6CTDSP1NT5EENPP2PRMT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013784-B1 C-SUBSTITUTED NAPHTHALENEMONOSULFONIC UREIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN CYANAMID COMPANY (US) 1983-02-23 EP disclosed
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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed