SCHEMBL6597891

SCHEMBL6597891

CC(C)N(CCOc1nc2ccccc2c(=O)[nH]1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TNKS2 Q9H2K2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PARP1 P09874 1/20 0.46
HCAR2 Q8TDS4 2/20 0.45
KDM4C Q9H3R0 2/20 0.45
GUSB P08236 2/20 0.43
MAOB P27338 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL6886533 0.81 TNKS2 (0.56) RAB9AKDM4EALDH1A1TNKS2KMT2A
SCHEMBL6004217 0.80 TNKS2 (0.51) RAB9ATNKS2KMT2APARP1HCAR2
SCHEMBL28502323 0.77 HCAR2 (0.53) RAB9ATNKS2KMT2APARP1HCAR2
Hydrochloric Acid SCHEMBL15742407 0.76 KDM4C (0.65) RAB9AKDM4EALDH1A1TNKS2MEN1
SCHEMBL28503293 0.76 PARP1 (0.59) RAB9AALDH1A1TNKS2KMT2APARP1
SCHEMBL8708547 0.75 KMT2A (0.42) RAB9AKDM4ETNKS2MEN1KMT2A
SCHEMBL6473755 0.74 KDM4C (0.75) RAB9ATNKS2KMT2APARP1HCAR2
SCHEMBL148952 0.73 TNKS2 (0.61) RAB9AKDM4EALDH1A1TNKS2PARP1
SCHEMBL31070299 0.73 TNKS2 (0.61) RAB9AKDM4EALDH1A1TNKS2PARP1
SCHEMBL38651228 0.72 HTR3A (0.56) KDM4EALDH1A1TNKS2PARP1LTA4H

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