SCHEMBL5083592

SCHEMBL5083592

CN(CCCc1ccccc1)C(=O)c1coc(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
GPR119 Q8TDV5 4/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
STS P08842 1/20 0.42
TBXA2R P21731 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
PRMT5 O14744 1/20 0.40

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 0.83 GAA (0.45) SMN1; SMN2GAATHRBGPR119JAK2
SCHEMBL2578274 0.79 SMN1; SMN2 (0.46) SMN1; SMN2GAATHRBGPR119JAK2
SCHEMBL5089830 0.79 GAA (0.45) SMN1; SMN2GAATHRBGPR119JAK2
SCHEMBL2581432 0.78 SMN1; SMN2 (0.49) SMN1; SMN2GAATHRBGPR119MAPT
SCHEMBL18689610 0.75 GPR119 (0.46) SMN1; SMN2GAATHRBGPR119MAPT
SCHEMBL2579967 0.75 NAMPT (0.42) SMN1; SMN2GAATHRBGPR119MAPT
SCHEMBL2579312 0.74 GPR119 (0.46) SMN1; SMN2GAATHRBGPR119MAPT
SCHEMBL1118173 0.74 ALDH1A1 (0.49) SMN1; SMN2GAATHRBGPR119MAPT
SCHEMBL3358948 0.73 KDM4E (0.59) SMN1; SMN2GAATHRBGPR119JAK2
SCHEMBL13913655 0.71 KDM4E (0.60) SMN1; SMN2GAATHRBGPR119JAK2

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