SCHEMBL8559017

SCHEMBL8559017

NS(=O)(=O)c1ccccc1-c1oc(COc2cccc(Cl)c2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXRA P19793 7/20 0.44
RXRB P28702 7/20 0.44
RXRG P48443 4/20 0.44
NR4A2 P43354 4/20 0.44
MAPT P10636 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
PPARD Q03181 2/20 0.40
FABP4 P15090 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8558777 0.93 TDP1 (0.43) KMT2ATDP1RXRARXRBRXRG
SCHEMBL8555922 0.92 TDP1 (0.46) KMT2ATDP1RXRARXRBRXRG
SCHEMBL8553646 0.90 CA12 (0.44) TDP1RXRARXRBRXRGNR4A2
SCHEMBL8557269 0.89 NR4A2 (0.44) KMT2ATDP1RXRARXRBRXRG
SCHEMBL8556746 0.88 GRM5 (0.41) RXRARXRBRXRGNR4A2PPARD
SCHEMBL8553922 0.87 NR4A2 (0.45) RXRARXRBNR4A2PPARDFABP4
SCHEMBL7506528 0.85 RXRA (0.47) KMT2ATDP1RXRARXRBRXRG
SCHEMBL7496715 0.85 RXRA (0.47) KMT2ATDP1RXRARXRBRXRG
SCHEMBL8560970 0.83 PTGS1 (0.43) RXRANR4A2TSHRMAPK1PPARD
SCHEMBL8558002 0.83 CA12 (0.43) RXRARXRBRXRGNR4A2PPARD

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed