SCHEMBL10970612

SCHEMBL10970612

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.60
▸ NPC1 O15118 9/20 0.56
▸ RAB9A P51151 8/20 0.56
▸ AVPR2 P30518 2/20 0.56
▸ GPR27 Q9NS67 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAOB P27338 2/20 0.54
▸ JAK2 O60674 1/20 0.53
▸ TYK2 P29597 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ CASP3 P42574 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
SCHEMBL10520399 0.84 METAP2 (0.70) METAP2NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL12468660 0.83 AVPR2 (0.76) METAP2NPC1RAB9AAVPR2GPR27
SCHEMBL4141992 0.81 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11582824 0.81 AKR1C3 (0.62) NPC1RAB9AAVPR2GPR27SMN1; SMN2
SCHEMBL29771489 0.81 AKR1C3 (0.62) NPC1RAB9AAVPR2GPR27SMN1; SMN2
SCHEMBL11648261 0.81 NPC1 (0.68) NPC1RAB9AAVPR2GPR27SMN1; SMN2
SCHEMBL12468557 0.81 AVPR2 (0.75) NPC1RAB9AAVPR2GPR27SMN1; SMN2
SCHEMBL30786728 0.81 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7865531 0.80 NPC1 (0.58) NPC1RAB9AAVPR2GPR27SMN1; SMN2
SCHEMBL29627549 0.80 KMT2A (0.73) NPC1RAB9AAVPR2GPR27SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098934-B1 2-METHYLSELENO-BENZAMIDES A. Nattermann & Cie. GmbH (DE) 1985-12-27 — — EP disclosed
EP-0098934-A1 2-Methylseleno-benzamides A. Nattermann & Cie. GmbH (DE) 1984-01-25 — — EP disclosed
US-4418069-A Benzisoselenazolones and process for the treatment of rheumatic and arthritic diseases using them A. NATTERMANN & CIE GMBH (DE) 1983-11-29 — — US disclosed
EP-0044453-A2 New benzisoselenazolones, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-01-27 — — EP disclosed
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