SCHEMBL8399265

SCHEMBL8399265

CCCOC(=O)CCC(=O)N(CC#N)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 5/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
MAPK1 P28482 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
SCHEMBL8398292 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1HTTRAB9ALTB4R2
SCHEMBL8396315 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTRAB9ALTB4R2
SCHEMBL8395385 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LTB4R2MAPTKMT2A
SCHEMBL8400205 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LTB4R2MAPTKMT2A
SCHEMBL8399172 0.87 LTB4R2 (0.45) SMN1; SMN2LTB4R2NPC1MAPTKMT2A
SCHEMBL8399213 0.87 SMN1; SMN2 (0.43) SMN1; SMN2LTB4R2KMT2A
SCHEMBL8400187 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1RAB9ALTB4R2NPC1
SCHEMBL8399140 0.86 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTTRAB9ALTB4R2
SCHEMBL8398013 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HTTRAB9AEPHX2
SCHEMBL8396409 0.86 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1RAB9ALTB4R2NPC1

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