SCHEMBL5794664

SCHEMBL5794664

C[C@H](N[C@H]1CC(c2ccccc2)=C[C@H](c2ccccc2)NC1=O)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
HTRA1 Q92743 1/20 0.33
F2 P00734 3/20 0.32
SCN3A Q9NY46 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
FAAH O00519 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5794093 1.00 KDM1A (0.45) KDM1AHTRA1F2SCN3AKDM4E
SCHEMBL5794096 0.82 XIAP (0.39)
SCHEMBL5794668 0.82 XIAP (0.39)
SCHEMBL5794455 0.78 KDM1A (0.48) KDM1AHTRA1SCN3AMEN1KMT2A
SCHEMBL5793603 0.78 KDM1A (0.42) KDM1AF2SCN3AKDM4EFAAH
SCHEMBL5793469 0.77 KDM1A (0.44) KDM1AHTRA1F2SCN3AMEN1
SCHEMBL5794434 0.77 KDM1A (0.44) KDM1AHTRA1F2SCN3AMEN1
SCHEMBL4839952 0.72 PSEN1 (0.44)
SCHEMBL4843190 0.72 PSEN1 (0.44)
SCHEMBL5764210 0.72 KDM1A (0.52) KDM1AHTRA1F2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP claimed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO claimed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed