SCHEMBL6687560

SCHEMBL6687560

CN(CCNc1ccc(OC(F)F)cc1)C(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PTGER4 P35408 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6686636 0.88 MAPT (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL6688710 0.86 POLB (0.43) MAPTMEN1KMT2AHTTL3MBTL1
SCHEMBL6689081 0.81 TOP2B (0.36)
SCHEMBL4798876 0.77 ALDH1A1 (0.39) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL6687217 0.75 PARP1 (0.42) MEN1KMT2A
SCHEMBL6687352 0.67 MAPT (0.45) MAPTAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL4798680 0.64 CTSS (0.48) POLB
SCHEMBL4800097 0.64 CTSK (0.42) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2476390 0.62 GLA (0.69) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6688714 0.62 POLB (0.47) MAPTMEN1KMT2AALDH1A1HTT

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
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed