SCHEMBL8560566

SCHEMBL8560566

COC(=O)CCCc1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.47
RXRA P19793 6/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 3/20 0.47
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PTGS1 P23219 2/20 0.41
EPHX2 P34913 2/20 0.41
PTGS2 P35354 2/20 0.41
NR4A1 P22736 2/20 0.41
NR4A3 Q92570 2/20 0.41
ABCC4 O15439 1/20 0.41

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
SCHEMBL8560767 0.94 NR4A2 (0.48) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8555804 0.91 TP53 (0.46) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8559306 0.89 RXRA (0.60) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8555950 0.87 TSHR (0.44) NR4A2RXRAHPGDTSHRMAPK1
SCHEMBL8556747 0.84 RXRA (0.59) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8560085 0.84 KDM4E (0.51) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8555394 0.83 NR4A2 (0.47) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8559925 0.82 ALDH1A1 (0.45) NR4A2RXRARXRBRXRGHPGD
SCHEMBL8554937 0.82 MAPT (0.44) NR4A2HPGDTSHRNPSR1KDM4E
SCHEMBL8554882 0.82 NR4A2 (0.57) NR4A2RXRARXRBRXRGHPGD

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