SCHEMBL7318580

SCHEMBL7318580

Nc1c(I)cc(CC(N)C(=O)O)cc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.62
THRB P10828 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 4/20 0.57
THRA P10827 4/20 0.57
PPARG P37231 4/20 0.57
TTR P02766 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
PDE4D Q08499 2/20 0.57
HSD17B10 Q99714 2/20 0.57
NR1I2 O75469 2/20 0.57
NR3C1 P04150 1/20 0.57
CYP1A2 P05177 1/20 0.57
HTR1A P08908 1/20 0.57
CYP2C9 P11712 1/20 0.57
TBXA2R P21731 1/20 0.57
NTSR1 P30989 1/20 0.57
HTR2B P41595 1/20 0.57
USP2 O75604 1/20 0.57

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
SCHEMBL7318588 1.00 SIRT5 (0.62) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL4800230 0.89 SIRT5 (0.55) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL4800217 0.89 SIRT5 (0.55) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL5287785 0.87 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL7270666 0.87 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL147579 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL838215 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL147578 0.85 SIRT5 (0.82) SIRT5THRBMEN1KMT2ALMNA
Diotyrosine SCHEMBL1741366 0.84 SIRT5 (0.79) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL14064744 0.84 SIRT5 (0.65) SIRT5THRBMEN1KMT2ALMNA

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
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US claimed