SCHEMBL8557664

SCHEMBL8557664

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 1/20 0.41
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 5/20 0.39
RXRA P19793 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL8559042 0.96 L3MBTL1 (0.43) L3MBTL1CA1CA2CA9CA13
SCHEMBL8560691 0.92 CA1 (0.41) L3MBTL1CA1CA2CA9CA13
SCHEMBL8553428 0.91 CA1 (0.42) L3MBTL1CA1CA2CA9CA13
SCHEMBL8556320 0.90 GRM2 (0.42) CA1CA2CA9MAPTALDH1A1
SCHEMBL8557954 0.90 RXRA (0.47) CA1CA2CA9MAPTALDH1A1
SCHEMBL8560882 0.90 MAPT (0.43) CA1CA2CA9MAPTALDH1A1
SCHEMBL8554223 0.90 GPR55 (0.36) CA1CA2CA9MAPTALDH1A1
SCHEMBL8560978 0.90 CDK9 (0.42) CA1CA2CA9SMN1; SMN2RXRA
SCHEMBL8556827 0.90 GRM2 (0.42) CA1CA2CA9CA13MAPT
SCHEMBL8555295 0.88 NR4A2 (0.36) CA1CA2CA9MAPTRXRA

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