SCHEMBL8400489

SCHEMBL8400489

CCCOC(=O)CCC(=O)N(CC#N)c1ccc(OCCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
PLK1 P53350 1/20 0.38
GAA P10253 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL8397897 0.96 SMN1; SMN2 (0.49) MAPK1ATMSMN1; SMN2L3MBTL1LMNA
SCHEMBL8395804 0.96 SMN1; SMN2 (0.43) MAPK1ATMSMN1; SMN2L3MBTL1LMNA
SCHEMBL8395446 0.92 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL8396079 0.92 SMN1; SMN2 (0.43) MAPK1ATMSMN1; SMN2L3MBTL1LMNA
SCHEMBL8398027 0.92 HTT (0.42) MAPK1ATMSMN1; SMN2L3MBTL1LMNA
SCHEMBL8395843 0.89 SMN1; SMN2 (0.51) ATMSMN1; SMN2LMNAMAPTKDM4E
SCHEMBL8399091 0.88 SMN1; SMN2 (0.44) MAPK1ATMSMN1; SMN2L3MBTL1LMNA
SCHEMBL8399169 0.88 SMN1; SMN2 (0.44) ATMSMN1; SMN2L3MBTL1LMNAMAPT
SCHEMBL8400187 0.88 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1LMNAMAPTTSHR
SCHEMBL8396409 0.88 SMN1; SMN2 (0.59) SMN1; SMN2LMNATSHRALDH1A1RAB9A

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 2 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
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed