SCHEMBL6590798

SCHEMBL6590798

CC(C)N(C)CC(Oc1ccc2c(=O)[nH]cnc2c1)N(C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.44
CHEK1 O14757 2/20 0.44
PIM1 P11309 2/20 0.44
RPS6KA3 P51812 1/20 0.44
ALDH1A1 P00352 1/20 0.41
IP6K1 Q92551 3/20 0.39
ROCK2 O75116 1/20 0.36
PDPK1 O15530 1/20 0.36
CA12 O43570 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
SLC2A1 P11166 2/20 0.36
KDM4A O75164 2/20 0.35
KDM4B O94953 2/20 0.35
KDM5C P41229 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL4508399 0.79 PARP1 (0.48) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4503343 0.73 PARP1 (0.49) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4512958 0.71 PARP1 (0.52) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4966568 0.71 PARP1 (0.63) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL29428185 0.71 PARP1 (0.63) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4510102 0.70 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL17740845 0.69 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL4875349 0.68 PARP1 (0.51) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL5565888 0.68 PARP1 (0.55) PARP1CHEK1PIM1RPS6KA3ALDH1A1
SCHEMBL6824901 0.68 PARP1 (0.54) PARP1CHEK1PIM1RPS6KA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458394-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003055492-A1 USE OF OXINDOLE DERIVATIVES IN THE TREATMENT OF DEMENTIA RELATED DISEASES, ALZHEIMER'S DISEASE AND CONDITIONS ASSOCIATED WITH GLYCOGEN SYNTHASE KINASE-3 ASTRAZENECA AB (SE) 2003-07-10 WO disclosed