SCHEMBL6414486

SCHEMBL6414486

[NH]C(=O)c1cc2cc(OC3CCOCC3)ccc2o1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.43
MAOB P27338 2/20 0.42
PIM1 P11309 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
IKBKE Q14164 2/20 0.39
TBK1 Q9UHD2 2/20 0.39
RAB9A P51151 1/20 0.39
ACSL1 P33121 3/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ACSL3 O95573 1/20 0.37
ACSL6 Q9UKU0 1/20 0.37
APP P05067 1/20 0.37
ACACB O00763 1/20 0.37

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 0.88 PIM1 (0.54) FLT3MAOBPIM1SLC6A2SLC6A4
SCHEMBL6414487 0.88 IKBKE (0.48) FLT3MAOBPIM1SLC6A2SLC6A4
SCHEMBL6110933 0.85 FLT3 (0.44) FLT3MAOBPIM1SLC6A2SLC6A4
SCHEMBL6415966 0.81 S1PR1 (0.44) FLT3PIM1SLC6A2SLC6A4ACACB
SCHEMBL6414483 0.78 MAOB (0.56) MAOBPIM1HRH3ACSL1ACSL3
SCHEMBL25636954 0.76 KDM4E (0.52) FLT3MAOBPIM1SLC6A2SLC6A4
SCHEMBL5806063 0.75 TAS1R3 (0.60) FLT3TAS1R3TAS1R1
SCHEMBL14785106 0.74 HPGD (0.46) IKBKETBK1RAB9ATAS1R3TAS1R1
SCHEMBL6419774 0.73 KAT2B (0.45) TBK1ACSL1ACSL3ACSL6
SCHEMBL443026 0.73 HPGD (0.50) HRH3RAB9A

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