SCHEMBL11348333

SCHEMBL11348333

O=C(Nc1ccc(C(=O)Nc2ccc3c(O)ccc(S(=O)(=O)O)c3c2)cc1)Nc1ccc(C(=O)Nc2ccc3c(O)ccc(S(=O)(=O)O)c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 3/20 0.59
CASP6 P55212 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
ENPP2 Q13822 1/20 0.49
PRMT1 Q99873 2/20 0.49
TOP1 P11387 1/20 0.48
FGF1 P05230 1/20 0.47
HPSE Q9Y251 2/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
F11 P03951 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
SCHEMBL10907776 0.92 TIMP3 (0.50) TIMP3CASP6CTDSP1TNNI3TNNT2
SCHEMBL10629458 0.90 TNNI3 (0.58) TIMP3TNNI3TNNT2TNNC1HKDC1
SCHEMBL11342482 0.89 TIMP3 (0.59) TIMP3TNNI3TNNT2TNNC1HKDC1
SCHEMBL11426191 0.88 CASP6 (0.65) TIMP3CASP6CTDSP1TNNI3TNNT2
SCHEMBL11440913 0.85 CASP6 (0.63) TIMP3CASP6CTDSP1TNNI3TNNT2
SCHEMBL11347423 0.85 TIMP3 (0.54) TIMP3CASP6CTDSP1ENPP2PRMT1
SCHEMBL11338942 0.85 HPSE (0.52) TIMP3CASP6CTDSP1TNNI3TNNT2
SCHEMBL11433801 0.84 CD40 (0.61) CASP6MEN1ALDH1A1KMT2ATDP1
SCHEMBL11350653 0.83 TIMP3 (0.55) TIMP3CASP6CTDSP1ENPP2PRMT1
SCHEMBL11349822 0.83 TNNI3 (0.46) 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 2 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
US-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed