SCHEMBL16213666

SCHEMBL16213666

CCOCCNC(=O)CCCCCN1C=CC(=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
HTT P42858 2/20 0.38
THRB P10828 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
MTOR P42345 1/20 0.32
ALDH1A1 P00352 5/20 0.32
CHRM1 P11229 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
CYP1A2 P05177 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
SCHEMBL16213663 0.89 SMN1; SMN2 (0.40) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL16213657 0.88 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL10029650 0.87 MEN1 (0.36) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL16213659 0.86 MEN1 (0.34) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL12994364 0.85 MAPT (0.31) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL336984 0.84 MEN1 (0.35) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL347344 0.84 MEN1 (0.35) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL13205929 0.84 MAPT (0.38) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL13205923 0.83 HPGD (0.38) MEN1KMT2ASMN1; SMN2HTTTHRB
SCHEMBL13205946 0.83 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HTTTHRB

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