SCHEMBL7828312

SCHEMBL7828312

N=C1NC(=N)c2c(Oc3cccc4ccccc34)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR1B P28222 5/20 0.37
STK10 O94804 1/20 0.36
SLK Q9H2G2 1/20 0.36
KCNA3 P22001 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESRRA P11474 1/20 0.35
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL7817075 0.80 LMNA (0.40) MAPTGAANPSR1KMT2ASMN1; SMN2
SCHEMBL11180079 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL7825266 0.77 MAOA (0.40) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL10540676 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL442767 0.76 HTR1B (0.54) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL29577853 0.76 HTR1B (0.54) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL474082 0.75 DNMT1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4462792 0.75 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTGAAL3MBTL1
Methane SCHEMBL10959030 0.74 HTR1B (0.52) ALDH1A1KDM4EMAPTGAAL3MBTL1
Lithium SCHEMBL6571336 0.74 HTR1B (0.52) ALDH1A1KDM4EMAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679640-B1 Carboxylate and heat-sensitive recording material using same MITSUI CHEMICALS INC (JP) 2001-08-08 EP disclosed
US-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed