SCHEMBL11350653

SCHEMBL11350653

O=C(Nc1ccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)cc1)Nc1ccc(C(=O)Nc2ccc3c(O)c(S(=O)(=O)O)ccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 2/20 0.55
ENPP2 Q13822 8/20 0.54
CASP6 P55212 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
FGF1 P05230 1/20 0.52
PRMT1 Q99873 2/20 0.51
PRMT3 O60678 1/20 0.51
EP300 Q09472 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
HPSE Q9Y251 1/20 0.46
F11 P03951 1/20 0.45
SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL10908058 0.92 ENPP2 (0.54) TIMP3ENPP2CASP6CTDSP1FGF1
SCHEMBL11340825 0.89 TIMP3 (0.55) TIMP3ENPP2FGF1PRMT1PRMT3
SCHEMBL11433010 0.89 CASP6 (0.67) TIMP3ENPP2CASP6CTDSP1PRMT1
SCHEMBL11342360 0.85 HPSE (0.48) TIMP3ENPP2CASP6CTDSP1FGF1
SCHEMBL11422942 0.84 CD40 (0.57) ENPP2CASP6CTDSP1CD40CD40LG
SCHEMBL11348333 0.83 TIMP3 (0.59) TIMP3ENPP2CASP6CTDSP1FGF1
SCHEMBL11338810 0.83 ENPP2 (0.48) ENPP2PRMT1PRMT3EP300PRMT6
SCHEMBL11351056 0.82 TIMP3 (0.52) TIMP3ENPP2CASP6CTDSP1FGF1
SCHEMBL11343839 0.82 ENPP2 (0.60) TIMP3ENPP2CASP6CTDSP1FGF1
SCHEMBL11352189 0.81 TIMP3 (0.57) TIMP3ENPP2CASP6CTDSP1FGF1

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-4297372-A ANTIARTHRITIC AGENTS; COLLAGENASE AND PROTEOLYTIC ENZYME INHIBITORS; BONE, SKIN, AND ORAL DISORDERS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
EP-0013784-A1 C-Substituted naphthalenemonosulfonic ureides, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-08-06 EP disclosed
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed