SCHEMBL11340875

SCHEMBL11340875

O=C(Nc1ccc(C(=O)Nc2c(O)ccc3c(S(=O)(=O)O)cccc23)cc1)Nc1ccc(C(=O)Nc2c(O)ccc3c(S(=O)(=O)O)cccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 3/20 0.47
FGF1 P05230 1/20 0.45
CD40 P25942 3/20 0.44
CD40LG P29965 3/20 0.44
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
SIRT1 Q96EB6 2/20 0.41
HPSE Q9Y251 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT1 Q99873 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL10907955 0.93 CD40 (0.44) TIMP3FGF1CD40CD40LGTNNI3
SCHEMBL11342918 0.88 KMT2A (0.54) TIMP3TNNI3TNNT2TNNC1HKDC1
SCHEMBL11341156 0.86 TIMP3 (0.48) TIMP3FGF1CD40CD40LGTNNI3
SCHEMBL11339195 0.86 TIMP3 (0.48) TIMP3FGF1CD40CD40LGSIRT1
SCHEMBL11435663 0.86 CASP6 (0.48) CD40CD40LGTNNI3TNNT2TNNC1
SCHEMBL11205429 0.83 TIMP3 (0.56) TIMP3FGF1CD40CD40LGSIRT1
SCHEMBL11347286 0.82 TIMP3 (0.49) TIMP3FGF1CD40CD40LGSIRT1
SCHEMBL11424407 0.82 CD40 (0.57) CD40CD40LGMEN1KMT2ATDP1
SCHEMBL11344823 0.82 HPSE (0.46) TIMP3SIRT1HPSEMEN1USP2
SCHEMBL11340787 0.82 PRMT1 (0.41) TIMP3TNNI3TNNT2TNNC1HKDC1

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