SCHEMBL8399194

SCHEMBL8399194

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL8396222 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10HTTKDM4EALDH1A1
SCHEMBL8397055 0.91 HTT (0.46) SMN1; SMN2HSD17B10HTTKDM4EALDH1A1
SCHEMBL8400239 0.91 SMN1; SMN2 (0.51) SMN1; SMN2HSD17B10HTTKDM4EALDH1A1
SCHEMBL8396593 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL8398292 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HTTALDH1A1KMT2AMAPT
SCHEMBL8398241 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8399240 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL8395141 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10HTTKDM4EALDH1A1
SCHEMBL8398077 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL8398050 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2APPARG

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