SCHEMBL15083052

SCHEMBL15083052

CNc1ccc(NCCNC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
GAA P10253 1/20 0.42
KAT2B Q92831 1/20 0.36
TSHR P16473 1/20 0.36
KIF11 P52732 1/20 0.35
APP P05067 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 3/20 0.32
RECQL P46063 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL10850136 0.82 MAPT (0.45) MAPTGAAALDH1A1RECQLCYP1A2
SCHEMBL14387512 0.82 MAPT (0.45) MAPTGAAKAT2BAPPCA12
SCHEMBL18236672 0.81 MAPT (0.54) MAPTGAAKAT2BTSHRALDH1A1
SCHEMBL21540394 0.79 GAA (0.74) MAPTGAAAPPALDH1A1RECQL
SCHEMBL4813312 0.79 FNTA (0.45) MAPTGAAKAT2BALDH1A1HTT
SCHEMBL19350615 0.78 SIGMAR1 (0.43) MAPTTSHRCA12CA1CA2
SCHEMBL4813329 0.76 MAPT (0.48) MAPTKAT2BTSHRALDH1A1RECQL
SCHEMBL14558232 0.76 POLB (0.45) MAPTTSHRCA1CA2ALDH1A1
SCHEMBL33646 0.75 MAPT (0.50) MAPTGAATSHRKIF11APP
SCHEMBL22175094 0.74 MAPT (0.38) MAPTGAAKAT2B

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
EP-2027124-B1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV (BE) 2013-07-03 EP disclosed