SCHEMBL10029641

SCHEMBL10029641

C[n+]1c(C=C2C=CN(CCCCCC(=O)NCCN)c3ccccc32)sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
Iodide SCHEMBL23051703 0.98 HTT (0.36) HTTMEN1MAPTKMT2ASMN1; SMN2
Iodide SCHEMBL23051704 0.98 HTT (0.36) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL347151 0.96 HTT (0.38) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13205887 0.93 HTT (0.41) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13205843 0.93 HTT (0.36) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13205946 0.93 MEN1 (0.42) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13205923 0.91 HPGD (0.38) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL336984 0.90 MEN1 (0.35) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL347344 0.90 MEN1 (0.35) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13205886 0.90 MAPT (0.39) HTTMEN1MAPTKMT2ASMN1; SMN2

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-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
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 WO disclosed