SCHEMBL5789280

SCHEMBL5789280

CN(C)CCOc1ccccc1-c1csc2ncnc(NCc3ccccn3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.62
NOD1 Q9Y239 2/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
PIP4K2C Q8TBX8 2/20 0.54
EGFR P00533 2/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.43
HTR7 P34969 2/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL27640124 0.86 TNF (0.69) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369141 0.81 TNF (0.73) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369055 0.77 MAPK1 (0.78) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2369019 0.77 MAPK1 (1.00) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3387956 0.76 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368708 0.76 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3384909 0.76 TNF (0.59) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3386302 0.75 TNF (0.78) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3383483 0.75 TNF (0.70) TNFNOD1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL2368569 0.74 TNF (0.83) TNFNOD1MAPK1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed