SCHEMBL8556827

SCHEMBL8556827

COc1ccc(-c2oc(Cc3ccccc3)nc2-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 0.36
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
SCN9A Q15858 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MAPT P10636 1/20 0.35
CA13 Q8N1Q1 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
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 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
SCHEMBL8556320 0.97 GRM2 (0.42) GRM2F10GPR55ALOX5APFEN1
SCHEMBL8557664 0.90 L3MBTL1 (0.43) GPR55CA1CA2CA9CA12
SCHEMBL8559042 0.90 L3MBTL1 (0.43) GPR55CA1CA2CA9CA12
SCHEMBL8554223 0.89 GPR55 (0.36) F10GPR55CA1CA2CA9
SCHEMBL8555295 0.89 NR4A2 (0.36) F10GPR55CA1CA2CA9
SCHEMBL8553428 0.89 CA1 (0.42) GPR55CA1CA2CA9CA12
SCHEMBL8560691 0.88 CA1 (0.41) CA1CA2CA9CA12RXRA
SCHEMBL8561430 0.87 ALOX5AP (0.40) GRM2ALOX5APFEN1RXRARXRB
SCHEMBL8559922 0.87 ALOX5AP (0.41) ALOX5APFEN1CA1CA2CA9
SCHEMBL7496817 0.86 PTGS2 (0.43) GRM2CA1CA2CA9CA12

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