SCHEMBL8316372

SCHEMBL8316372

CN(C)c1ccc(C=Cc2nc3c(s2)NCCCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
APP P05067 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
INSR P06213 2/20 0.47
NCOA1 Q15788 1/20 0.47
NPC1 O15118 4/20 0.42
CASP1 P29466 2/20 0.42
HBB P68871 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 2/20 0.39
HTT P42858 2/20 0.39
RELA Q04206 1/20 0.38
S100A4 P26447 1/20 0.36

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
SCHEMBL8316359 1.00 MAPT (0.47) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8315041 0.87 MAPT (0.50) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8315038 0.87 MAPT (0.50) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8316004 0.86 FGF23 (0.36) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8316008 0.86 FGF23 (0.36) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8313753 0.84 KDM4E (0.34) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8313756 0.84 KDM4E (0.34) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL8310781 0.83 RAB9A (0.38) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL8310785 0.83 RAB9A (0.38) MAPTMEN1KMT2AAPPSMN1; SMN2
SCHEMBL9306414 0.83 CYP1A1 (0.35) MAPTMEN1KMT2ASMN1; SMN2RAB9A

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-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 US disclosed