SCHEMBL8556320

SCHEMBL8556320

COc1ccc(-c2nc(Cc3ccccc3)oc2-c2ccccc2S(N)(=O)=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.42
F10 P00742 3/20 0.37
GPR55 Q9Y2T6 2/20 0.37
ALOX5AP P20292 4/20 0.37
FEN1 P39748 4/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SCN9A Q15858 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35

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
SCHEMBL8556827 0.97 GRM2 (0.42) GRM2F10GPR55ALOX5APFEN1
SCHEMBL8557664 0.90 L3MBTL1 (0.43) GPR55CA12CA1CA2CA9
SCHEMBL8554223 0.90 GPR55 (0.36) F10GPR55CA12CA1CA2
SCHEMBL8559042 0.89 L3MBTL1 (0.43) GPR55CA12CA1CA2CA9
SCHEMBL8560691 0.89 CA1 (0.41) CA12CA1CA2CA9RXRA
SCHEMBL8559362 0.88 ALOX5AP (0.40) GRM2ALOX5APFEN1RXRARXRB
SCHEMBL8560601 0.88 ALOX5AP (0.41) ALOX5APFEN1CA12CA1CA2
SCHEMBL8555295 0.88 NR4A2 (0.36) F10GPR55CA12CA1CA2
SCHEMBL8553428 0.87 CA1 (0.42) GPR55CA12CA1CA2CA9
SCHEMBL7510970 0.87 PTGS2 (0.43) GRM2CA12CA1CA2CA9

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