SCHEMBL5794477

SCHEMBL5794477

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
HDAC4 P56524 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KCNH2 Q12809 1/20 0.32
SCN3A Q9NY46 1/20 0.32
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
USP2 O75604 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
SCHEMBL5791943 1.00 KDM1A (0.48) KDM1AHDAC4MEN1KMT2AKCNH2
SCHEMBL5794479 0.81 XIAP (0.36) KDM1AHDAC4
SCHEMBL5791949 0.81 XIAP (0.36) KDM1AHDAC4
SCHEMBL5794455 0.76 KDM1A (0.48) KDM1AHDAC4MEN1KMT2AKCNH2
SCHEMBL5793810 0.75 KDM1A (0.47) KDM1AHDAC4
SCHEMBL5793048 0.75 KDM1A (0.47) KDM1AHDAC4
SCHEMBL5764210 0.75 KDM1A (0.52) KDM1AKCNH2
SCHEMBL5764222 0.75 KDM1A (0.52) KDM1AKCNH2
SCHEMBL5762190 0.75 KDM1A (0.49) KDM1AKCNH2SCN3AUSP2
SCHEMBL5793794 0.75 KDM1A (0.49) KDM1A

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