SCHEMBL2669992

SCHEMBL2669992

CCCCCC(C)C(Nc1ccc(C(=O)N(C)CCC=O)cc1)c1c(C)oc2cc(O)ccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.32
MAP1LC3B Q9GZQ8 2/20 0.31
MAP1LC3A Q9H492 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B3 P37058 1/20 0.31
GAA P10253 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL2669941 0.79 TP53 (0.36) NAMPTMEN1LMNAMAPTKMT2A
SCHEMBL2669820 0.77 FAAH (0.35) NAMPTALDH1A1
SCHEMBL2669956 0.76 MAOB (0.35) NAMPTMEN1MAPTKMT2AALDH1A1
SCHEMBL2669810 0.75 NAMPT (0.34) NAMPTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9070776 0.75 KMT2A (0.37) KDM4ELMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2669900 0.71 NAMPT (0.35) NAMPT
SCHEMBL2669769 0.69 NAMPT (0.36) NAMPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2669895 0.69 ESR1 (0.42) MEN1POLBKMT2ASMN1; SMN2
SCHEMBL2669811 0.69 TP53 (0.34) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL9070790 0.69 NAMPT (0.34) NAMPTKDM4EMEN1MAPTHPGD

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed