SCHEMBL12102187

SCHEMBL12102187

CC(C)(Sc1ccc(C#N)cc1F)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 12/20 0.51
▸ PPARA Q07869 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL1464615 0.87 SLC22A12 (0.65) SLC22A12PPARA
SCHEMBL1464264 0.80 SLC22A12 (0.47) SLC22A12PPARAKMT2AGPR119MEN1
SCHEMBL1464605 0.73 RAB9A (0.47) SLC22A12KMT2AMEN1
SCHEMBL1464556 0.72 CNR2 (0.43) SLC22A12
SCHEMBL1464366 0.72 SLC22A12 (0.42) SLC22A12KMT2AMEN1
SCHEMBL1464739 0.72 CNR1 (0.46) SLC22A12
SCHEMBL30846771 0.71 KMT2A (0.44) SLC22A12KMT2AMEN1
SCHEMBL4032639 0.71 KMT2A (0.44) SLC22A12KMT2AMEN1
SCHEMBL27112680 0.71 SLC22A12 (0.39) SLC22A12GPR119
SCHEMBL30686452 0.70 KIF11 (0.38) SLC22A12KMT2AMEN1

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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