SCHEMBL2369428

SCHEMBL2369428

O=[N+]([O-])c1ccc(Cc2n[c]c3c(-c4cccs4)csc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 5/20 0.35
HPGD P15428 2/20 0.35
SLC29A1 Q99808 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.34
MAPK1 P28482 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL5788978 0.84 STAT3 (0.37) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL5789263 0.74 HSD17B10 (0.40) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL5791821 0.73 ALDH1A1 (0.39) MAPTMEN1KMT2ALMNATDP1
SCHEMBL6358001 0.73 ALDH1A1 (0.36) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL3383720 0.66 SMN1; SMN2 (0.60) MAPTLMNAL3MBTL1HTTPOLB
SCHEMBL5040863 0.64 THRB (0.55) MAPTMEN1KMT2ALMNAHTT
SCHEMBL29166060 0.63 HSP90AA1 (0.46) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL577663 0.62 MAPT (0.44) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL1285054 0.62 APP (0.60) MAPTMEN1KMT2ALMNAL3MBTL1
SCHEMBL11665288 0.62 PTPRC (0.50) MAPTMEN1KMT2ALMNAL3MBTL1

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-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed