SCHEMBL13616434

SCHEMBL13616434

Clc1nc(I)nc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CB P42338 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL38827 0.86 MAPT (0.57) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL1308905 0.86 MAPT (0.61) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL28998051 0.81 ALDH1A1 (0.59) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL28998047 0.79 ALDH1A1 (0.62) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL18383753 0.78 MAPT (0.51) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL912709 0.78 MAPT (0.54) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL25269127 0.77 KMT2A (0.46) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL777891 0.76 HRH1 (0.55) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL20692823 0.76 MAPT (0.52) MAPTL3MBTL1KMT2AMEN1HTT
SCHEMBL1310780 0.76 MAPT (0.60) MAPTL3MBTL1KMT2AMEN1HTT

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
WO-2013041652-A1 MORPHOLINO SUBSTITUTED UREA OR CARBAMATE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-03-28 WO disclosed
US-20090286693-A1 MICROARRAYS OF TAGGED COMBINATORIAL TRIAZINE LIBRARIES NEW YORK UNIVERSITY, NYU MEDICAL CENTER, DEPARTMENT OF INDUSTRIAL LIAISON (US) 2009-11-19 US disclosed