SCHEMBL6186271

SCHEMBL6186271

COC(=O)C(=O)c1cc2ccccc2n1C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.63
SLC9A1 P19634 1/20 0.54
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PHGDH O43175 1/20 0.47
DAO P14920 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
IDO1 P14902 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL29834903 0.83 L3MBTL1 (0.67) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL4486403 0.83 L3MBTL1 (0.67) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL27467673 0.81 MCL1 (0.74) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL16599480 0.79 MCL1 (0.76) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL401039 0.78 MCL1 (0.73) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL117186 0.78 MCL1 (1.00) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL1093913 0.77 MCL1 (0.67) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL29581946 0.77 MCL1 (0.67) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL13753389 0.76 PHGDH (0.66) MCL1SLC9A1MAPTMEN1NPC1
SCHEMBL5748064 0.76 MCL1 (0.71) MCL1SLC9A1MAPTMEN1NPC1

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
EP-0979226-B1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMA (JP) 2005-11-09 EP disclosed
US-6100260-A ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-08 US disclosed
EP-0979226-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-02-16 EP disclosed
WO-1998047880-A1 ISOXAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-10-29 WO disclosed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 US disclosed