SCHEMBL6702250

SCHEMBL6702250

C1CC2CC2C1.CCc1sc(NC(=O)c2c(C)c3cc(C)ccc3n2CC(=O)O)nc1-c1cc(OC)c(Cl)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 7/20 0.34
TP53 P04637 5/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPL P40238 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL7087093 0.95 MAPT (0.39) RXFP1MAPTTP53ALDH1A1POLB
SCHEMBL6699878 0.93 PTGDR2 (0.35) RXFP1MAPTTP53ALDH1A1POLB
SCHEMBL6702247 0.87 RXFP1 (0.37) RXFP1MAPTTP53ALDH1A1POLB
SCHEMBL6702244 0.83 RXFP1 (0.37) RXFP1MAPTTP53ALDH1A1POLB
SCHEMBL7091394 0.83 MAPT (0.34) RXFP1MAPTTP53ALDH1A1POLB
SCHEMBL6704419 0.82 MAPT (0.39) RXFP1MAPTTP53ALDH1A1LMNA
SCHEMBL6699876 0.80 PTGDR2 (0.35) RXFP1MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL6704678 0.78 MAPT (0.39) RXFP1MAPTTP53ALDH1A1LMNA
SCHEMBL27581733 0.78 TRPV4 (0.34) MAPTTP53ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL6702802 0.78 GAA (0.39) MAPTTP53ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed