SCHEMBL8956489

SCHEMBL8956489

O=C1CC(=O)/C(=C/c2ccc(-c3cccs3)cc2)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.63
▸ HDAC2 Q92769 2/20 0.42
▸ GLS O94925 1/20 0.39
▸ GLS2 Q9UI32 1/20 0.39
▸ SLC6A11 P48066 1/20 0.39
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ LTK P29376 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ MST1R Q04912 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34

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
SCHEMBL8209251 0.77 GSK3B (1.00) GSK3BHDAC2GLSGLS2SLC6A11
SCHEMBL8209254 0.77 GSK3B (1.00) GSK3BHDAC2GLSGLS2SLC6A11
SCHEMBL8209256 0.77 GSK3B (1.00) GSK3BHDAC2GLSGLS2SLC6A11
SCHEMBL8971519 0.75 LMNA (0.50) MEN1KMT2AHPGD
SCHEMBL8971511 0.75 LMNA (0.50) MEN1KMT2AHPGD
SCHEMBL8971517 0.75 LMNA (0.50) MEN1KMT2AHPGD
SCHEMBL8956418 0.72 GSK3B (0.54) GSK3BHDAC1MEN1KMT2AHPGD
SCHEMBL5852 0.68 HDAC2 (0.56) GSK3BHDAC2LPLLIPGLTA4H
SCHEMBL5873746 0.68 SLC6A11 (0.52) SLC6A11
SCHEMBL13790222 0.68 HDAC2 (0.64) GSK3BHDAC2LPLLIPGLTA4H

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 1 patent. 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 disclosed
Send feedback