SCHEMBL8488335

SCHEMBL8488335

C=C1SC(=O)N(c2ccc3ccccc3c2OCC(CC2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)NC)C1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
XIAP P98170 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPARG P37231 1/20 0.30
PSEN1 P49768 2/20 0.30

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
SCHEMBL8485114 0.90 MAPT (0.37) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485014 0.90 ALOX5 (0.32) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485088 0.83 ALOX5 (0.31) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8484695 0.83 PSEN1 (0.35) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485596 0.78 ALOX5 (0.39) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8487392 0.77 HTR1A (0.33) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8484773 0.74 MAPT (0.33) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8488308 0.72 ALOX5 (0.38) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485235 0.71
SCHEMBL8471735 0.71 KCNH2 (0.39) ALOX5MEN1MAPTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925656-A CONTAINING A 2,4-DIOXOTRIAZOLIDINE RING DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-07-20 US disclosed