SCHEMBL5089830

SCHEMBL5089830

CN(CCc1ccccc1)C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
GPR119 Q8TDV5 7/20 0.45
LMNA P02545 2/20 0.43
STS P08842 1/20 0.43
ACKR3 P25106 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PRMT5 O14744 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
LIMK2 P53671 1/20 0.41

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
SCHEMBL5085617 0.96 GAA (0.45) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL15312958 0.85 GAA (0.48) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL16392288 0.84 GPR119 (0.46) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL1773896 0.82 GPR119 (0.56) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL2400320 0.82 USP30 (0.47) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL2581282 0.81 GPR119 (0.44) GAATHRBSMN1; SMN2JAK2JAK1
SCHEMBL20541282 0.80 GPR119 (0.49) GAATHRBSMN1; SMN2GPR119LMNA
SCHEMBL15312890 0.80 GPR119 (0.47) THRBGPR119MAPTKDM4E
SCHEMBL419123 0.79 GPR119 (0.51) THRBSMN1; SMN2GPR119MAPTKDM4E
SCHEMBL5083592 0.79 SMN1; SMN2 (0.50) GAATHRBSMN1; SMN2JAK2JAK1

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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed