SCHEMBL2108592

SCHEMBL2108592

CC(C)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 9/20 0.49
CYP51A1 Q16850 2/20 0.49
PYGM P11217 1/20 0.49
ALB P02768 2/20 0.45
IL2 P60568 2/20 0.45
CTNNB1 P35222 2/20 0.45
F2R P25116 1/20 0.44
F11 P03951 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL2606823 1.00 PYGL (0.49) PYGLCYP51A1PYGMALBIL2
SCHEMBL2606831 0.91 PYGL (0.60) PYGLCYP51A1PYGMALBIL2
SCHEMBL2606895 0.90 PYGL (0.49) PYGLCYP51A1PYGMALBIL2
SCHEMBL2106631 0.88 PYGL (0.59) PYGLCYP51A1PYGMALBIL2
SCHEMBL2106634 0.88 PYGL (0.59) PYGLCYP51A1PYGMALBIL2
Hydrochloric Acid SCHEMBL4403691 0.87 PYGL (0.58) PYGLCYP51A1PYGMALBIL2
SCHEMBL14144202 0.87 PYGL (0.51) PYGLCYP51A1PYGMALBIL2
SCHEMBL2606997 0.87 PYGL (0.48) PYGLCYP51A1PYGMALBIL2
SCHEMBL2606884 0.87 PYGL (0.66) PYGLCYP51A1PYGM
SCHEMBL2606947 0.87 PYGL (0.52) PYGLCYP51A1PYGMALBIL2

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-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed