SCHEMBL8887587

SCHEMBL8887587

O=C(O)CNC(=O)CNC(=O)CN(C(=O)CSC(=O)c1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
GPR139 Q6DWJ6 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA5 P08648 1/20 0.32
PARP1 P09874 1/20 0.31
OPRK1 P41145 1/20 0.30
NAMPT P43490 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL8887585 0.87 GPR139 (0.40) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL9067904 0.85 KMT2A (0.48) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL1055212 0.76 GPR139 (0.52) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL14417102 0.76 GPR139 (0.52) KMT2AGPR139ALDH1A1MAPTL3MBTL1
Succinimide SCHEMBL8888235 0.74 KMT2A (0.44) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL8595095 0.73 GPR139 (0.55) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL9724362 0.72 PARP1 (0.36) KMT2AALDH1A1MAPTHTTPARP1
SCHEMBL8904453 0.71 SLC1A2 (0.40) KMT2AALDH1A1MAPTITGB1ITGA5
SCHEMBL8597576 0.68 ALDH1A1 (0.42) KMT2AGPR139ALDH1A1MAPTL3MBTL1
SCHEMBL8140165 0.68 ITGB1 (0.34) ITGB1ITGA5EGLN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681927-A COMPLEXES NEORX CORPORATION (US) 1997-10-28 US disclosed
US-5616692-A Metal-radionuclide-labeled proteins and glycoproteins for diagnosis and therapy NEORX CORPORATION (US) 1997-04-01 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