SCHEMBL8724600

SCHEMBL8724600

CC(Nc1ncnc(Cl)n1)NC(C)(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
GAA P10253 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7626993 0.83 GAA (0.37) PDE4AGAATDP1
SCHEMBL11568367 0.72 GAA (0.59) GAATDP1
SCHEMBL11806555 0.69 GAA (0.31) GAATDP1
SCHEMBL10670538 0.66 CSNK1A1 (0.33) PDE4A
SCHEMBL8432702 0.66 SMN1; SMN2 (0.59) PDE4AGAA
SCHEMBL8724605 0.65 PDE4A (0.33) PDE4A
SCHEMBL374336 0.63
SCHEMBL11711416 0.62 PDE4A (0.79) PDE4AGAATDP1
SCHEMBL27430762 0.62 SCN9A (0.53)
SCHEMBL10444894 0.60 LMNA (0.37) PDE4A

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
EP-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed