SCHEMBL6419774

SCHEMBL6419774

[NH]C(=O)c1cc2c(OC3CCOCC3)cccc2o1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
PDE4D Q08499 8/20 0.40
PDE4A P27815 6/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PSMB5 P28074 1/20 0.37
TBK1 Q9UHD2 1/20 0.35
SYK P43405 1/20 0.34
ACSL3 O95573 1/20 0.34
ACSL1 P33121 1/20 0.34
ACSL6 Q9UKU0 1/20 0.34

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
SCHEMBL6414956 0.89 KAT2B (0.46) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL6419778 0.89 KAT2B (0.46) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL6414486 0.73 FLT3 (0.43) TBK1ACSL3ACSL1ACSL6
SCHEMBL1377003 0.67 KAT2B (0.69) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL25393148 0.66 RAB9A (0.54)
SCHEMBL8890812 0.65 KAT2B (0.71) KAT2BBAZ2BPDE4D
SCHEMBL6417131 0.65 RAB9A (0.58)
SCHEMBL13692329 0.64 KAT2B (0.74) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL558490 0.64 KAT2B (0.60) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL19837798 0.64 KAT2B (0.56) KAT2BBAZ2BPDE4DPDE4APDE4B

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-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed