SCHEMBL491460

SCHEMBL491460

c1ccc(N=NC(=NNc2ccccc2)c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.51
POLB P06746 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
GAA P10253 3/20 0.48
LMNA P02545 3/20 0.48
NOS1 P29475 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
CYP1A1 P04798 1/20 0.42
TSHR P16473 1/20 0.42
CYP1B1 Q16678 1/20 0.42
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL491458 1.00 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL491429 0.78 RAB9A (0.73) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL322062 0.78 RAB9A (0.73) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3068110 0.73 RAB9A (0.52) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3068116 0.73 RAB9A (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3881493 0.73 RAB9A (0.65) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL31213408 0.72 CYP1A2 (0.51) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3889602 0.72 L3MBTL1 (0.63) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL29812424 0.71 RAB9A (0.71) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3880196 0.70 RAB9A (0.69) ALDH1A1MEN1KMT2AMAPTMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105766-B2 Method of measuring pyrophosphate ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-31 US disclosed
US-20090246783-A1 METHOD OF MEASURING PYROPHOSPHATE ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-01 US disclosed
EP-1515143-B1 METHOD OF ASSAY BY OXIDATION-REDUCTION REACTION WITH FORMAZAN ARKRAY INC (JP) 2009-01-07 EP disclosed
US-7381539-B2 Method of assay by oxidation-reduction reaction with formazan ARKRAY, INC. (JP) 2008-06-03 US disclosed
US-20050202399-A1 Method of assay by oxidation-reduction reaction with formazan ARKRAY, INC. (JP) 2005-09-15 US disclosed
EP-1515143-A1 METHOD OF ASSAY BY OXIDATION-REDUCTION REACTION WITH FORMAZAN ARKRAY, Inc. (JP) 2005-03-16 EP disclosed