SCHEMBL8560771

SCHEMBL8560771

COC(=O)CCc1nc(-c2ccccc2S(N)(=O)=O)c(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.55
RXRB P28702 10/20 0.55
RXRG P48443 5/20 0.55
NR4A2 P43354 9/20 0.53
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
NR4A1 P22736 2/20 0.51
NR4A3 Q92570 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
ABCC4 O15439 1/20 0.51
C5 P01031 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL8560570 0.94 RXRA (0.53) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8558227 0.92 RXRA (0.58) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8560090 0.90 KDM4E (0.56) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8555951 0.89 NR4A2 (0.49) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8556748 0.88 RXRA (0.67) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8546148 0.86 RXRA (0.53) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL6309920 0.84 NR4A2 (0.59) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL7505754 0.84 NR4A2 (0.60) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL7505634 0.84 NR4A2 (0.60) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8555806 0.84 RXRA (0.52) RXRARXRBRXRGNR4A2KDM4E

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