SCHEMBL16213655

SCHEMBL16213655

CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCCCN1C=CC(=Cc2sc3ccccc3[n+]2C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 6/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL16471773 0.98 MEN1 (0.40) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL336984 0.97 MEN1 (0.35) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL347344 0.97 MEN1 (0.35) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL16213657 0.96 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL13205943 0.95 HPGD (0.35) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL13646004 0.94 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL12994303 0.94 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL16213663 0.94 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL13205946 0.93 MEN1 (0.42) MEN1KMT2ASMN1; SMN2THRBMAPT
SCHEMBL13205887 0.91 HTT (0.41) MEN1KMT2ASMN1; SMN2THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877437-B1 Methods of using dyes in association with nucleic acid staining or detection BIOTIUM, INC. (US) 2014-11-04 US disclosed