SCHEMBL22198952

SCHEMBL22198952

CCC(C)(C)OC(=O)NCc1n[nH]c(C#N)c1Br

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PRMT5 O14744 8/20 0.33
WDR77 Q9BQA1 8/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL22892718 0.91 KDM4E (0.34) KDM4ELMNAPRMT5WDR77GFER
SCHEMBL15617846 0.89 KDM4E (0.45) KDM4ELMNAPRMT5WDR77GFER
SCHEMBL22198893 0.76 KDM4E (0.32) KDM4ELMNAPRMT5WDR77
SCHEMBL28779757 0.70 PARP1 (0.31)
SCHEMBL22198948 0.68 KDM4E (0.48) KDM4ELMNAPRMT5WDR77GFER
SCHEMBL22198947 0.68 CACNA1G (0.35)
SCHEMBL5152697 0.66 SMN1; SMN2 (0.44) KDM4ELMNA
SCHEMBL8200759 0.63 MAPKAPK2 (0.38) KDM4ELMNAPRMT5WDR77
SCHEMBL8404812 0.63 EPHX1 (0.38) KDM4E
SCHEMBL3342222 0.63 TDP1 (0.46)

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
EP-3415518-B1 MACROCYCLE AND COMPOSITION COMPRISING THEREOF SHENZHEN TARGETRX INC (CN) 2020-07-08 EP disclosed