SCHEMBL7091394

SCHEMBL7091394

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.34
LMNA P02545 5/20 0.33
TP53 P04637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
F10 P00742 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
CNR1 P21554 1/20 0.32
POLB P06746 1/20 0.32
MPL P40238 1/20 0.32
MEN1 O00255 1/20 0.32
CCKAR P32238 1/20 0.32
KMT2A Q03164 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 0.88 MAPT (0.39) MAPTLMNATP53ALDH1A1NFKB1
SCHEMBL6703725 0.86 MAPT (0.34) MAPTLMNATP53ALDH1A1F10
SCHEMBL6703723 0.83 F10 (0.36) MAPTLMNATP53ALDH1A1F10
SCHEMBL7086912 0.83 SCD (0.36) MAPTTP53ALDH1A1F10POLB
SCHEMBL6702250 0.83 RXFP1 (0.37) MAPTLMNATP53ALDH1A1NFKB1
SCHEMBL6702802 0.82 GAA (0.39) MAPTLMNATP53ALDH1A1POLB
SCHEMBL6703653 0.81 MEN1 (0.37) MAPTLMNATP53ALDH1A1F10
SCHEMBL6704667 0.78 TRPV4 (0.33) MAPTLMNATP53ALDH1A1RXFP1
SCHEMBL7679717 0.78 MEN1 (0.40) MAPTLMNATP53ALDH1A1F10
SCHEMBL6703652 0.78 MEN1 (0.38) MAPTLMNATP53ALDH1A1F10

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-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