SCHEMBL8487392

SCHEMBL8487392

C=C1SC(=O)N(c2ccccc2OCCNCC2(C)CCc3c(C)c(OCc4ccccc4)c(C)c(C)c3O2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.33
ADRA1D P25100 6/20 0.33
ADRA1A P35348 6/20 0.33
ADRA1B P35368 6/20 0.33
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR6 P50406 4/20 0.32
PSEN1 P49768 5/20 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
SCHEMBL8487549 0.88 ALOX5 (0.40) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485014 0.85 ALOX5 (0.32) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8484695 0.84 PSEN1 (0.35) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485088 0.84 ALOX5 (0.31) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL8485403 0.81 HTR1A (0.41) HTR1AADRA1DADRA1AADRA1BALOX5
SCHEMBL8488335 0.77 ALOX5 (0.32) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL6968237 0.75 MEN1 (0.41) HTR1AADRA1DADRA1AADRA1BALOX5
SCHEMBL6980822 0.75 PSEN1 (0.38) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL6971766 0.75 PSEN1 (0.40) ALOX5MEN1MAPTKMT2ATDP1
SCHEMBL6966548 0.74 HPGD (0.52) MEN1KMT2A

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