SCHEMBL8788378

SCHEMBL8788378

N#Cc1cccc(C2=CC(=O)CCC2)c1N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
GRM5 P41594 2/20 0.32
GRM1 Q13255 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NOTUM Q6P988 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL3734647 0.73 ALDH1A1 (0.43) PARP1ALDH1A1
SCHEMBL29656653 0.73 ALDH1A1 (0.43) PARP1ALDH1A1
SCHEMBL27995333 0.71 CYP11B2 (0.32)
SCHEMBL27900871 0.70 PNMT (0.36) PARP1KDM4EALDH1A1NOTUM
SCHEMBL11116210 0.69 PTPN1 (0.44) PARP1KDM4EALDH1A1MCL1
SCHEMBL3259928 0.68 ESR2 (0.47) CA1CA2USP8USP7KDM4E
SCHEMBL13920714 0.67 PDE3B (0.35) CA1CA2KDM4EALDH1A1
SCHEMBL29533046 0.67 PTPN1 (0.44) PARP1KDM4EALDH1A1
SCHEMBL21733906 0.67 PTPN1 (0.44) PARP1KDM4EALDH1A1
SCHEMBL2423501 0.67 TSHR (0.46) CA1CA2KDM4EALDH1A1MCL1

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-0499231-B1 9-Aminotetrahydroacridines and related compounds, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1997-05-21 EP disclosed
US-5502203-A FOR ACRIDINE COMPOUNDS USED IN TREATMENT OF ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-03-26 US disclosed
US-5382594-A Cognition activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-01-17 US disclosed
US-5210087-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-05-11 US disclosed
EP-0499231-A1 9-Aminotetrahydroacridines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-19 EP disclosed