SCHEMBL16213657

SCHEMBL16213657

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ALPL P05186 2/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
PKM P14618 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 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 0.98 SMN1; SMN2 (0.40) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL336984 0.97 MEN1 (0.35) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL347344 0.97 MEN1 (0.35) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL16213655 0.96 MEN1 (0.38) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL16471773 0.96 MEN1 (0.40) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL13205943 0.95 HPGD (0.35) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL13646004 0.94 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL12994303 0.94 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL13205946 0.90 MEN1 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1HTT
SCHEMBL347151 0.90 HTT (0.38) SMN1; SMN2ALDH1A1KMT2AMEN1HTT

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