SCHEMBL12102188

SCHEMBL12102188

CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)[S+]([O-])c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 10/20 0.47
▸ CLK4 Q9HAZ1 10/20 0.47
▸ CDK8 P49336 5/20 0.46
▸ CLK2 P49760 4/20 0.46
▸ DYRK1B Q9Y463 2/20 0.46
▸ GRM5 P41594 2/20 0.44
▸ GSK3A P49840 7/20 0.43
▸ GSK3B P49841 7/20 0.43
▸ FLT3 P36888 3/20 0.42
▸ RET P07949 3/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ NTRK1 P04629 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ MAP2K1 Q02750 2/20 0.42
▸ FGFR1 P11362 2/20 0.42
▸ MET P08581 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42

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 0.85 GRM5 (0.48) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL14308049 0.79 CLK4 (0.45) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL14319138 0.79 HCRTR1 (0.41) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL1464042 0.77 ACVR1 (0.47) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL12102170 0.76 NPC1 (0.46) MEN1KMT2A
SCHEMBL13842703 0.75 RORC (0.48) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL1464446 0.75 ACVR1 (0.47) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL14300149 0.75 CLK4 (0.50) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL14309232 0.74 CLK4 (0.41) ACVR1CLK4CDK8CLK2DYRK1B
SCHEMBL14960342 0.74 GSK3A (0.48) ACVR1CLK4CDK8CLK2DYRK1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 — — EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 — — WO disclosed
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