SCHEMBL10029650

SCHEMBL10029650

C[n+]1c(/C=C/C=C2\C=CN(CCCC(=O)NCCN)c3ccccc32)sc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
USP2 O75604 1/20 0.33
MTOR P42345 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NSD2 O96028 1/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 3/20 0.32
BLM P54132 1/20 0.32
INSR P06213 1/20 0.32
ADRB1 P08588 2/20 0.31

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
SCHEMBL5020843 0.87 MEN1 (0.39) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL16213666 0.87 MEN1 (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL10029641 0.87 HTT (0.37) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL13525403 0.86 KMT2A (0.40) MEN1KMT2AHTTMAPTMAPK1
Iodide SCHEMBL23051704 0.85 HTT (0.36) MEN1KMT2AHTTMAPTMAPK1
Iodide SCHEMBL23051703 0.85 HTT (0.36) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL347151 0.82 HTT (0.38) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL13602010 0.82 RAB9A (0.41) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL12733763 0.82 RAB9A (0.41) MEN1KMT2AHTTMAPTMAPK1
SCHEMBL26845473 0.82 RAB9A (0.41) MEN1KMT2AHTTMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778627-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2014-07-15 US disclosed
US-8092784-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2012-01-10 US disclosed
US-20090148386-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. 2009-06-11 US disclosed