SCHEMBL8557632

SCHEMBL8557632

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.57
NR4A1 P22736 2/20 0.57
NR4A3 Q92570 2/20 0.57
KDM4E B2RXH2 4/20 0.42
RXRA P19793 3/20 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
PTGS1 P23219 2/20 0.42
PTGS2 P35354 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
TSHR P16473 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
SCHEMBL8561174 0.88 TSHR (0.44) NR4A2NR4A1NR4A3KDM4EHPGD
SCHEMBL8557447 0.88 RXRA (0.59) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8558261 0.87 HSD11B1 (0.44) NR4A2NR4A1NR4A3KDM4EHSD11B1
SCHEMBL8558805 0.85 ALDH1A1 (0.53) NR4A2NR4A1NR4A3CYP2C19PTGS2
SCHEMBL8555072 0.84 SLC40A1 (0.45) KDM4EHSD11B1HPGDCYP2C19TSHR
SCHEMBL8558225 0.83 NR4A2 (0.48) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8556764 0.83 MAPT (0.54) KDM4EHSD11B1HPGDCYP2C19LMNA
SCHEMBL8560795 0.82 EDNRB (0.43) NR4A2KDM4EHSD11B1HPGDCYP2C19
SCHEMBL8555394 0.82 NR4A2 (0.47) NR4A2NR4A1NR4A3KDM4ERXRA
SCHEMBL8554887 0.80 NR4A2 (0.54) 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