SCHEMBL6702802

SCHEMBL6702802

C1CC2CC2C1.CCc1sc(NC(=O)c2cc3cc(OC)ccc3n2CC(=O)O)nc1-c1cc(OC)c(C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPT P10636 9/20 0.36
TP53 P04637 5/20 0.36
DYRK1A Q13627 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6702797 0.86 GAA (0.39) GAAMAPTTP53DYRK1ASMN1; SMN2
SCHEMBL6699878 0.84 PTGDR2 (0.35) GAAMAPTTP53DYRK1ASMN1; SMN2
SCHEMBL6702793 0.83 MAPT (0.37) GAAMAPTTP53DYRK1ASMN1; SMN2
SCHEMBL7091394 0.82 MAPT (0.34) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL6702441 0.81 MAPT (0.39) GAAMAPTTP53DYRK1ASMN1; SMN2
SCHEMBL7686591 0.80 TRPV4 (0.36) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL6703035 0.80 MAPT (0.34) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL7684176 0.79 TRPV4 (0.38) GAAMAPTTP53DYRK1ASMN1; SMN2
SCHEMBL6702250 0.78 RXFP1 (0.37) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL7684903 0.78 KMT2A (0.42) GAAMEN1KMT2APOLBTRPV4

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