SCHEMBL7574899

SCHEMBL7574899

O=C(O)C(Nc1ccccc1I)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
FPR2 P25090 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
RPS6KB1 P23443 2/20 0.38
AURKA O14965 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
GRIK1 P39086 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL7575977 0.80 GAA (0.54) CYP2D6SRCFPR2LMNAMAPK1
SCHEMBL13241014 0.79 GAA (0.50) CYP2D6LMNAMEN1KMT2AGAA
SCHEMBL2483409 0.79 RAB9A (0.48) CYP2D6GAA
SCHEMBL16664407 0.79 GAA (0.50) CYP2D6LMNAMEN1KMT2AGAA
SCHEMBL2484664 0.79 GAA (0.50) CYP2D6LMNAMEN1KMT2AGAA
SCHEMBL6244215 0.79 KCNQ2 (0.53) CYP2D6SRCLMNAMAPK1CA1
SCHEMBL7582089 0.79 FPR2 (0.46) CYP2D6SRCFPR2LMNAMAPK1
Hydrochloric Acid SCHEMBL2486567 0.77 GAA (0.49) LMNAMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL1695958 0.77 RAB9A (0.47) CYP2D6LMNAGAA
SCHEMBL8508317 0.76 LMNA (0.45) LMNAMEN1KMT2AGAAGRIK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed