SCHEMBL13842703

SCHEMBL13842703

CCN[S+]([O-])C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.48
▸ CLK4 Q9HAZ1 10/20 0.42
▸ ACVR1 Q04771 9/20 0.42
▸ GSK3A P49840 6/20 0.42
▸ GSK3B P49841 6/20 0.42
▸ CDK8 P49336 4/20 0.41
▸ MST1R Q04912 2/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ KIT P10721 1/20 0.41
▸ SRPK1 Q96SB4 4/20 0.41
▸ AURKA O14965 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ GRM5 P41594 3/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ HIPK4 Q8NE63 5/20 0.39
▸ STK3 Q13188 4/20 0.39
▸ AURKB Q96GD4 4/20 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
SCHEMBL14319140 0.78 GRM5 (0.48) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL14308049 0.78 CLK4 (0.45) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL15219108 0.76 RORC (0.44) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL16358862 0.76 RORC (0.44) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL1464316 0.76 GSK3A (0.49) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL14960342 0.75 GSK3A (0.48) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL12102188 0.75 ACVR1 (0.47) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL3656731 0.75 RORC (0.51) RORCCLK4ACVR1GSK3AGSK3B
SCHEMBL13170010 0.74 KDM4E (0.56) CLK4ACVR1GSK3AGSK3BCDK8
SCHEMBL18425134 0.74 ACVR1 (0.49) RORCCLK4ACVR1GSK3AGSK3B

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
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 — — WO disclosed
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