SCHEMBL11442016

SCHEMBL11442016

O=C(Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(S(=O)(=O)O)c1)Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(S(=O)(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.60
▸ TIMP3 P35625 4/20 0.49
▸ SIRT1 Q96EB6 1/20 0.48
▸ ENPP2 Q13822 6/20 0.46
▸ FGF1 P05230 1/20 0.46
▸ CASP6 P55212 2/20 0.46
▸ CTDSP1 Q9GZU7 1/20 0.46
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ NT5E P21589 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11438960 0.93 PRMT1 (0.53) PRMT1TIMP3SIRT1ENPP2FGF1
SCHEMBL11432539 0.85 CASP6 (0.51) PRMT1TIMP3ENPP2FGF1CASP6
SCHEMBL11432335 0.85 TIMP3 (0.52) PRMT1TIMP3SIRT1ENPP2FGF1
SCHEMBL11432534 0.84 CASP6 (0.50) PRMT1TIMP3ENPP2FGF1CASP6
SCHEMBL11418759 0.84 TIMP3 (0.54) PRMT1TIMP3SIRT1ENPP2FGF1
SCHEMBL11438340 0.84 TIMP3 (0.54) PRMT1TIMP3SIRT1ENPP2FGF1
SCHEMBL11437677 0.82 CASP6 (0.44) PRMT1CASP6CD40CD40LGNT5E
SCHEMBL11437668 0.81 CASP6 (0.43) PRMT1CASP6CD40CD40LGNT5E
SCHEMBL10900256 0.81 PRMT1 (0.63) PRMT1TIMP3SIRT1ENPP2FGF1
SCHEMBL11596825 0.81 TIMP3 (0.67) PRMT1TIMP3SIRT1ENPP2FGF1

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
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