SCHEMBL8218399

SCHEMBL8218399

COc1cc(C=C2NC(=O)NC2=O)ccc1OCC(=O)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.66
▸ GSK3B P49841 3/20 0.63
▸ POLB P06746 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 1/20 0.58
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HPGD P15428 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8218393 1.00 KDM4E (0.66) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL8218397 1.00 KDM4E (0.66) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL8220485 0.91 KDM4E (0.70) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL8220477 0.91 KDM4E (0.70) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL8220489 0.91 KDM4E (0.70) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL15356756 0.83 IGF1R (0.65) KDM4EGSK3BHPGD
SCHEMBL15347377 0.81 PDE4B (0.67) KDM4EGSK3BALDH1A1MAPT
SCHEMBL15347380 0.81 PDE4B (0.67) KDM4EGSK3BALDH1A1MAPT
SCHEMBL3125849 0.78 GSK3B (0.70) KDM4EGSK3BPOLBALDH1A1MAPT
SCHEMBL3125853 0.78 GSK3B (0.70) KDM4EGSK3BPOLBALDH1A1MAPT

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
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 — — US claimed
US-8188130-B1 Anti-cancer hydantoin compounds and methods UNIVERSITY OF LOUISIANA AT MONROE (US) 2012-05-29 — — US disclosed
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