SCHEMBL13046151

SCHEMBL13046151

OOOSc1cccc(/N=N/c2ccc(Nc3ccccc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 3/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 12/20 0.37
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
MEN1 O00255 9/20 0.36
KMT2A Q03164 9/20 0.36
AR P10275 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 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
SCHEMBL13103142 0.77 ALDH1A1 (0.50) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL61806 0.73 ALDH1A1 (0.65) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL2437660 0.73 ALDH1A1 (0.65) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL13318855 0.73 PHLPP2 (0.44) ALDH1A1TDP1HSD17B10CYP3A4MAPT
SCHEMBL12724060 0.73 PHLPP2 (0.44) ALDH1A1TDP1HSD17B10CYP3A4MAPT
SCHEMBL13324330 0.72 MEN1 (0.38) TDP1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31555953 0.72 ALDH1A1 (0.62) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL14004214 0.71 MEN1 (0.41) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL13201698 0.71 MEN1 (0.41) ALDH1A1HTTTSHRTDP1HSD17B10
SCHEMBL13986706 0.70 ALDH1A1 (0.47) ALDH1A1HTTTSHRTDP1HSD17B10

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
US-7833335-B2 Ink-jet ink sets HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-11-16 US disclosed
US-20080252681-A1 Ink-jet ink sets HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-10-16 US disclosed