SCHEMBL8554882

SCHEMBL8554882

O=C(O)Cc1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.57
NR4A1 P22736 2/20 0.57
NR4A3 Q92570 2/20 0.57
KDM4E B2RXH2 5/20 0.42
RXRA P19793 4/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 2/20 0.42
HSD11B1 P28845 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 2/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL8555950 0.88 TSHR (0.44) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8556747 0.88 RXRA (0.59) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8557930 0.87 HSD11B1 (0.44) NR4A2NR4A1NR4A3KDM4EHSD11B1
SCHEMBL8559306 0.85 RXRA (0.60) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8555034 0.85 ALDH1A1 (0.53) NR4A2NR4A1NR4A3KDM4ECYP2C19
SCHEMBL8560630 0.84 MAPT (0.49) KDM4EHSD11B1HPGDCYP2C19TSHR
SCHEMBL8560767 0.83 NR4A2 (0.48) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8557471 0.83 MAPT (0.48) KDM4EHSD11B1HPGDCYP2C19TSHR
SCHEMBL8554937 0.82 MAPT (0.44) NR4A2KDM4EHSD11B1HPGDCYP2C19
SCHEMBL8555234 0.82 AURKA (0.44) NR4A2KDM4EHSD11B1HPGDCYP2C19

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