SCHEMBL30458638

SCHEMBL30458638

Nc1cc(Cl)c(N2CCOCC2)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.66
GAA P10253 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPK1 P28482 1/20 0.57
LGMN Q99538 2/20 0.51
ALDH3A1 P30838 1/20 0.51
ALDH1A3 P47895 1/20 0.51
KDM4E B2RXH2 3/20 0.51
THRB P10828 2/20 0.51
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NCF1 P14598 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL17651382 1.00 MAPT (0.66) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL21291704 0.83 MAPT (0.55) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL19174694 0.82 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL9899360 0.82 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL8152649 0.82 MAPK1 (0.77) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL1192644 0.80 MAPT (1.00) MAPTGAASMN1; SMN2MAPK1KDM4E
SCHEMBL78364 0.79 MAPT (1.00) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL29715972 0.79 MAPT (1.00) MAPTGAASMN1; SMN2MAPK1LGMN
SCHEMBL21262291 0.79 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1LGMN
Lithium Ion SCHEMBL31739817 0.78 MAPT (0.54) MAPTGAASMN1; SMN2MAPK1ALDH3A1

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
CN-107001744-B Low molecular weight graft polymers for scale inhibitors 赫尔克里士有限公司 2023-06-16 CN disclosed