SCHEMBL14101750

SCHEMBL14101750

NC(=O)c1cc(Br)cc(-c2nn(-c3cc(N4CCOCC4)ccc3N=O)c(=O)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 6/20 0.40
HTT P42858 2/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.37
ROCK1 Q13464 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL14101931 0.87 SMN1; SMN2 (0.54) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL4722766 0.86 MAPT (0.57) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL14102010 0.83 SMN1; SMN2 (0.46) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL14102060 0.82 SMN1; SMN2 (0.56) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL4766556 0.78 MAPT (0.60) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL4720906 0.78 MAPT (0.55) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL14101756 0.77 GAA (0.51) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL14101809 0.77 GAA (0.56) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL14102068 0.76 SMN1; SMN2 (0.45) GAASMN1; SMN2MAPTHTTHTR6
SCHEMBL4722092 0.75 MAPT (0.66) GAASMN1; SMN2MAPTHTTHTR6

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed