SCHEMBL16629075

SCHEMBL16629075

CCOC(=O)CC(N)(C#N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 2/20 0.43
HSD11B1 P28845 1/20 0.43
PPID Q08752 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KCNA3 P22001 1/20 0.39
OPRM1 P35372 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8311559 0.83 OPRM1 (0.49) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL2636117 0.82 SMN1; SMN2 (0.46) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL988620 0.81 POLB (0.47) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL28137288 0.80 SMN1; SMN2 (0.49) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL28100629 0.78 HSD11B1 (0.50) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL9734283 0.78 CCR1 (0.47) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL11847067 0.76 SMN1; SMN2 (0.47) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL5972813 0.76 SMN1; SMN2 (0.51) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL27309743 0.76 PIN1 (0.46) SMN1; SMN2POLBHSD11B1PPIDMEN1
SCHEMBL27811397 0.75 POLB (0.47) SMN1; SMN2POLBHSD11B1PPIDMEN1

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-2015049168-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-09 WO disclosed