SCHEMBL8556747

SCHEMBL8556747

O=C(O)CCc1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.59
RXRB P28702 18/20 0.59
RXRG P48443 12/20 0.59
NR4A2 P43354 8/20 0.59
KDM4E B2RXH2 1/20 0.59
ABCC4 O15439 1/20 0.59
C5 P01031 1/20 0.59
LMNA P02545 1/20 0.59
CHRM2 P08172 1/20 0.59
CYP3A4 P08684 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD2 P14416 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
TBXA2R P21731 1/20 0.59
NR4A1 P22736 1/20 0.59
PTGS1 P23219 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL8559306 0.93 RXRA (0.60) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8560767 0.89 NR4A2 (0.48) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8554882 0.88 NR4A2 (0.57) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8560085 0.86 KDM4E (0.51) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8554937 0.85 MAPT (0.44) NR4A2KDM4ELMNAHPGDTSHR
SCHEMBL8555234 0.85 AURKA (0.44) NR4A2KDM4ELMNAHPGDTSHR
SCHEMBL8557930 0.85 HSD11B1 (0.44) NR4A2KDM4ELMNAHPGDTSHR
SCHEMBL8560566 0.84 NR4A2 (0.47) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8559925 0.83 ALDH1A1 (0.45) RXRARXRBRXRGNR4A2KDM4E
SCHEMBL8560630 0.82 MAPT (0.49) KDM4ELMNAHPGDTSHRCYP2C19

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