SCHEMBL347344

SCHEMBL347344

C[n+]1c(/C=C2/C=CN(CCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCN3C=C/C(=C\c4sc5ccccc5[n+]4C)c4ccccc43)c3ccccc32)sc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL336984 1.00 MEN1 (0.35) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13205943 0.98 HPGD (0.35) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213657 0.97 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL12994303 0.97 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13646004 0.97 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16471773 0.97 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213655 0.97 MEN1 (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL16213663 0.95 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL347151 0.93 HTT (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL13205923 0.91 HPGD (0.38) MEN1KMT2ASMN1; SMN2MAPTHTT

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
EP-2428586-A1 Dimeric and trimeric nucleic acid dyes, and associated systems and methods Biotium Inc. (US) 2012-03-14 EP disclosed
EP-1863933-B1 DIMERIC AND TRIMERIC NUCLEIC ACID DYES, AND ASSOCIATED SYSTEMS AND METHODS BIOTIUM INC (US) 2011-10-05 EP disclosed