SCHEMBL8554223

SCHEMBL8554223

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
SCN9A Q15858 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
NR4A2 P43354 2/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
F10 P00742 1/20 0.35
ACHE P22303 2/20 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

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
SCHEMBL8555295 0.96 NR4A2 (0.36) GPR55CA12CA1CA2CA9
SCHEMBL8557664 0.90 L3MBTL1 (0.43) GPR55CA12CA1CA2CA9
SCHEMBL8556320 0.90 GRM2 (0.42) GPR55CA12CA1CA2CA9
SCHEMBL8556827 0.89 GRM2 (0.42) GPR55CA12CA1CA2CA9
SCHEMBL8559042 0.88 L3MBTL1 (0.43) GPR55CA12CA1CA2CA9
SCHEMBL8560691 0.88 CA1 (0.41) CA12CA1CA2CA9RXRA
SCHEMBL8555966 0.87 CA12 (0.37) CA12CA1CA2CA9RXRA
SCHEMBL8556401 0.87 CYP2C9 (0.40) CA12CA1CA2CA9RXRA
SCHEMBL8553428 0.87 CA1 (0.42) GPR55CA12CA1CA2CA9
SCHEMBL7505602 0.86 CA2 (0.42) CA12CA1CA2CA9RXRA

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