SCHEMBL10520399

SCHEMBL10520399

COc1ccc([Se][Se]c2ccc(OC)cc2C(=O)Nc2ccccc2)c(C(=O)Nc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.70
▸ NPC1 O15118 8/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAOB P27338 2/20 0.55
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ NLRP3 Q96P20 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ TACR3 P29371 1/20 0.53
▸ KCNK9 Q9NPC2 1/20 0.52

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
SCHEMBL10970612 0.84 METAP2 (0.60) METAP2NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL10518136 0.82 METAP2 (1.00) METAP2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11582824 0.82 AKR1C3 (0.62) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL29771489 0.82 AKR1C3 (0.62) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL18818114 0.82 RAB9A (0.73) METAP2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL28469086 0.81 BRAF (0.60) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL28897456 0.81 MEN1 (0.59) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL12468557 0.79 AVPR2 (0.75) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL11648261 0.79 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MAOBMEN1
SCHEMBL4141992 0.79 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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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