SCHEMBL8400239

SCHEMBL8400239

CCOC(=O)CCC(=O)N(CC#N)c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MTNR1A P48039 6/20 0.47
MTNR1B P49286 6/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL8396177 0.92 MTNR1A (0.45) SMN1; SMN2MTNR1AMTNR1BMAPTKDM4E
SCHEMBL8399194 0.91 SMN1; SMN2 (0.51) SMN1; SMN2MTNR1AMTNR1BMAPTKDM4E
SCHEMBL8400465 0.91 MTNR1A (0.52) MTNR1AMTNR1BTP53NPC1RAB9A
SCHEMBL8396593 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTP53HTTALDH1A1
SCHEMBL8396419 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTKDM4ETSHRALDH1A1
SCHEMBL8398292 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHTTALDH1A1NPC1
SCHEMBL8398241 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1
SCHEMBL8395141 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MTNR1AMTNR1BMAPTKDM4E
SCHEMBL8399240 0.85 SMN1; SMN2 (0.52) SMN1; SMN2TDP1TSHRHTTALDH1A1
SCHEMBL8398077 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ETSHRTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed