SCHEMBL6419778

SCHEMBL6419778

NC(=O)c1cc2c(OC3CCOCC3)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
PDE4D Q08499 9/20 0.43
TBK1 Q9UHD2 3/20 0.41
IKBKE Q14164 2/20 0.41
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB5 P28074 1/20 0.38
SCD O00767 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADRB3 P13945 1/20 0.36

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 0.90 KAT2B (0.46) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL6419774 0.89 KAT2B (0.45) KAT2BBAZ2BPDE4DTBK1PDE4A
SCHEMBL1377003 0.74 KAT2B (0.69) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL6414487 0.73 IKBKE (0.48) TBK1IKBKE
SCHEMBL7703671 0.71 CYP2A6 (0.56) ALDH1A1KMT2A
SCHEMBL3484205 0.68 KDM4E (0.45) ALDH1A1KMT2A
SCHEMBL2444039 0.68 PDE4D (0.52) KAT2BBAZ2BPDE4DTBK1IKBKE
SCHEMBL25393148 0.67 RAB9A (0.54) ALDH1A1KMT2A
SCHEMBL7703619 0.67 ALB (0.44) ALDH1A1KMT2A
SCHEMBL8890812 0.66 KAT2B (0.71) KAT2BBAZ2BPDE4DALDH1A1KMT2A

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