SCHEMBL8558075

SCHEMBL8558075

NS(=O)(=O)c1ccccc1-c1oc(CCc2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
PTGS1 P23219 6/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RXRA P19793 6/20 0.42
NR4A2 P43354 6/20 0.42
RXRB P28702 5/20 0.42
RXRG P48443 3/20 0.42
NR4A1 P22736 2/20 0.39
NR4A3 Q92570 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC4 O15439 1/20 0.39
C5 P01031 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8558542 0.94 PTGS2 (0.43) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL8557262 0.92 NR4A2 (0.48) PTGS2PTGS1CA1CA2RXRA
SCHEMBL8561129 0.90 PTGS2 (0.44) PTGS2PTGS1CA1CA2RXRA
SCHEMBL8558731 0.88 PTGS2 (0.47) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL8558402 0.88 PTGS2 (0.44) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL8559954 0.86 PTGS2 (0.41) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL8556142 0.85 PTGS2 (0.46) PTGS2PTGS1RXRANR4A2RXRB
SCHEMBL7501412 0.84 PTGS2 (0.60) PTGS2PTGS1CA1CA2RXRA
SCHEMBL9026925 0.84 RXRA (0.44) PTGS2PTGS1CA1CA2RXRA
SCHEMBL8560970 0.83 PTGS1 (0.43) PTGS2PTGS1CA1CA2RXRA

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