SCHEMBL8904451

SCHEMBL8904451

O=C(O)CNC(=O)CNC(=O)CNC(=O)C(S)C(=O)c1ccccc1N1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
ACE P12821 3/20 0.38
KEAP1 Q14145 1/20 0.38
MME P08473 6/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ECE1 P42892 1/20 0.36
BLM P54132 1/20 0.36
NPEPPS P55786 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
SLC1A2 P43004 1/20 0.34
TNKS O95271 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL7745199 0.76 ACE (0.47) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL2028236 0.76 ACE (0.47) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL8595093 0.70 ACE (0.51) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL9262225 0.68 GAA (0.55) MAPK1ALDH1A1MEN1MAPTKMT2A
SCHEMBL9067648 0.67 ACE (0.46) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL8904453 0.67 SLC1A2 (0.40) MAPK1ACEKEAP1MMEALDH1A1
SCHEMBL10720961 0.65 KMT2A (0.38) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL9067650 0.64 ACE (0.40) MAPK1ACEMMEALDH1A1HPGD
SCHEMBL3211065 0.64 NPC1 (0.54) MAPK1KEAP1ALDH1A1HPGDHSD17B10
SCHEMBL10363565 0.64 ALDH1A1 (0.55) MAPK1ACEMMEALDH1A1HPGD

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
US-5681927-A COMPLEXES NEORX CORPORATION (US) 1997-10-28 US disclosed
EP-0284071-B1 Metal-radionuclide-labeled proteins and glycoproteins for diagnosis and therapy NEORX CORP (US) 1994-06-08 EP disclosed
US-5091514-A Antitumor, anticarcinogenic agents NEORX CORPORATION (US) 1992-02-25 US disclosed
US-4965392-A DIAGNOSIS, RADIOTHERAPY OF TUMORS NEORX CORPORATION (US) 1990-10-23 US disclosed
EP-0284071-A2 Metal-radionuclide-labeled proteins and glycoproteins for diagnosis and therapy NEORX CORPORATION (US) 1988-09-28 EP disclosed