SCHEMBL6414487

SCHEMBL6414487

NC(=O)c1cc2cc(OC3CCOCC3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.48
TBK1 Q9UHD2 2/20 0.48
FLT3 P36888 2/20 0.44
MAOB P27338 2/20 0.43
PIM1 P11309 1/20 0.42
PARP10 Q53GL7 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
RAB9A P51151 1/20 0.40
ACSL1 P33121 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL6110545 0.90 PIM1 (0.54) FLT3MAOBPIM1SLC6A2SLC6A4
SCHEMBL6414486 0.88 FLT3 (0.43) IKBKETBK1FLT3MAOBPIM1
SCHEMBL6110933 0.86 FLT3 (0.44) IKBKETBK1FLT3MAOBPIM1
SCHEMBL6415969 0.81 PARP10 (0.47) IKBKETBK1FLT3PARP10
SCHEMBL6414483 0.79 MAOB (0.56) MAOBPIM1HRH3ACSL1ACSL3
SCHEMBL25636954 0.77 KDM4E (0.52) FLT3MAOBPIM1PARP10SLC6A2
SCHEMBL14785106 0.77 HPGD (0.46) IKBKETBK1RAB9ATAS1R3TAS1R1
SCHEMBL443026 0.74 HPGD (0.50) HRH3RAB9A
SCHEMBL5806070 0.74 TAS1R3 (0.62) FLT3TAS1R3TAS1R1
SCHEMBL3012096 0.74 PARP10 (0.73) PARP10HRH3

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