SCHEMBL6426899

SCHEMBL6426899

NC(=O)OCCC(=O)Nc1cnn(CCF)c1N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 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
SCHEMBL16592911 0.82 GLA (0.34) MEN1KMT2AGLA
SCHEMBL5500971 0.79 POLB (0.32)
SCHEMBL6426720 0.78 LMNA (0.32) MEN1KMT2A
SCHEMBL7108391 0.68 KDM4E (0.41) KMT2A
SCHEMBL28405367 0.65 LMNA (0.35) MEN1KMT2AGLA
SCHEMBL3121390 0.65 ALDH1A1 (0.35) KMT2A
SCHEMBL27620824 0.62 TSHR (0.31)
SCHEMBL6065170 0.62 HTT (0.47) MEN1KMT2A
SCHEMBL5492776 0.61 ITGA4 (0.36)
SCHEMBL7109430 0.61 ALDH1A1 (0.53) MEN1KMT2A

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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed