SCHEMBL10518136

SCHEMBL10518136

COc1ccc(NC(=O)c2ccccc2[Se][Se]c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 3/20 1.00
▸ NPC1 O15118 5/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ MEN1 O00255 8/20 0.63
▸ KMT2A Q03164 8/20 0.63
▸ LMNA P02545 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ PNLIP P16233 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ AHR P35869 1/20 0.60
▸ CASP3 P42574 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL28343753 0.85 METAP2 (0.73) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL18818114 0.84 RAB9A (0.73) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL1499502 0.83 KMT2A (0.75) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL10521106 0.83 METAP2 (0.75) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL8356819 0.83 METAP2 (0.70) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL10520399 0.82 METAP2 (0.70) METAP2NPC1RAB9AMEN1KMT2A
Ebselen Diselenide SCHEMBL10520791 0.82 METAP2 (1.00) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL5080078 0.81 PNLIP (0.91) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL3949532 0.81 KMT2A (0.78) METAP2NPC1RAB9AMEN1KMT2A
SCHEMBL10062017 0.81 NPC1 (1.00) METAP2NPC1RAB9AMEN1KMT2A

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-4873350-A Diselenobis-benzoic acid amides of primary and secondary amines and processes for the treatment of diseases in humans caused by a cell injury A NATTERMANN & CIE GMBH (DE) 1989-10-10 — — US disclosed
EP-0198277-B1 DISELENO-BIS-BENZAMIDES OF PRIMARY AND SECONDARY AMINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1989-05-03 — — EP disclosed
EP-0198277-A1 Diseleno-bis-benzamides of primary and secondary amines, processes for their production and pharmaceutical preparations containing them A. Nattermann & Cie. GmbH (DE) 1986-10-22 — — EP disclosed
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