SCHEMBL7584713

SCHEMBL7584713

O=C(O)C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FPR2 P25090 1/20 0.42
KDM4E B2RXH2 2/20 0.40
RPS6KB1 P23443 2/20 0.40
AURKA O14965 1/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL7576844 0.86 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2FPR2KDM4EMEN1
SCHEMBL7584703 0.85 NPC1 (0.53) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL7574997 0.82 CA2 (0.44) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL2483521 0.81 FPR2 (0.49) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL2483519 0.81 FPR2 (0.49) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL146704 0.81 FPR2 (0.49) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL7576130 0.81 NPC1 (0.56) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL1696047 0.81 MDM2 (0.48) CA1CA2ALDH1A1SMN1; SMN2FPR2
SCHEMBL2639604 0.80 NPC1 (0.54) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28534876 0.80 FPR2 (0.47) CA1CA2ALDH1A1SMN1; SMN2FPR2

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