SCHEMBL8218253

SCHEMBL8218253

CCN(CC)c1ccc(/C=C2\NC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 1.00
LMNA P02545 4/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
MAPT P10636 3/20 1.00
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
NTSR1 P30989 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
POLB P06746 1/20 0.56
CLK1 P49759 1/20 0.56
DYRK1A Q13627 1/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CGAS Q8N884 1/20 0.53
ALDH3A1 P30838 1/20 0.51

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
SCHEMBL16685430 1.00 GSK3B (1.00) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL16685431 1.00 GSK3B (1.00) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL10095181 0.86 MEN1 (0.78) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL6328220 0.82 MAPT (1.00) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL6328218 0.82 MAPT (1.00) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL12821680 0.81 GSK3B (0.81) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL12821679 0.81 GSK3B (0.81) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL8216533 0.79 GSK3B (0.65) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL8216537 0.79 GSK3B (0.65) GSK3BLMNAMEN1KMT2AMAPT
SCHEMBL10750988 0.76 GSK3B (0.68) GSK3BLMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 US claimed
WO-2015065212-A1 NOVEL N3-AMINOALKYL DERIVATIVES OF 5-ARYLIDENEHYDANTOIN, PHARMACEUTICAL COMPOSITION CONTAINING THE ABOVE AND APPLICATION THEREOF Uniwersytet Jagielloński (PL) 2015-05-07 WO disclosed
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 US disclosed