SCHEMBL5476182

SCHEMBL5476182

C=Cn1ccnc1-c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NISCH Q9Y2I1 2/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BRD4 O60885 1/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNK13 Q9HB14 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL3534451 0.72 BRD4 (0.46) NISCHALDH1A1SMN1; SMN2BRD4MTOR
SCHEMBL2866599 0.67 GAA (0.51) LMNATDP1ALDH1A1SMN1; SMN2GAA
SCHEMBL25395328 0.66
SCHEMBL36575 0.66
SCHEMBL81650 0.66 NISCH (0.59) NISCHALDH1A1SMN1; SMN2BRD4MTOR
SCHEMBL5667704 0.66 NISCH (0.50) NISCHALDH1A1SMN1; SMN2MTORADK
SCHEMBL2027445 0.66 CSNK1A1 (0.43) NISCHALDH1A1SMN1; SMN2BRD4MTOR
SCHEMBL28796695 0.66 NISCH (0.40) NISCHALDH1A1SMN1; SMN2BRD4MTOR
SCHEMBL27816158 0.66 LMNA (0.46) LMNATDP1NISCHALDH1A1SMN1; SMN2
SCHEMBL198066 0.66 SMN1; SMN2 (0.42) LMNATDP1SMN1; SMN2GAACYP3A4

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
US-20070117948-A1 Mixtures for producing reactive hot melt adhesives and reactive hot melt adhesives obtained on the basis thereof ROEHM GMBH & CO. KG (DE) 2007-05-24 US disclosed