SCHEMBL8395804

SCHEMBL8395804

CCCCOc1ccc(N(CC#N)C(=O)CCC(=O)OCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
LTB4R2 Q9NPC1 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
SCHEMBL8400489 0.96 MAPK1 (0.44) SMN1; SMN2MAPK1ATML3MBTL1LMNA
SCHEMBL8395446 0.95 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1L3MBTL1MEN1LMNA
SCHEMBL8397897 0.93 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1ATML3MBTL1LMNA
SCHEMBL8396079 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1ATML3MBTL1LMNA
SCHEMBL8396482 0.91 HTT (0.42) SMN1; SMN2MEN1LMNAKMT2AMAPT
SCHEMBL8399138 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ALTB4R2
SCHEMBL8398027 0.88 HTT (0.42) SMN1; SMN2MAPK1ATML3MBTL1MEN1
SCHEMBL8395843 0.88 SMN1; SMN2 (0.51) SMN1; SMN2ATMMEN1LMNAKMT2A
SCHEMBL8399091 0.87 SMN1; SMN2 (0.44) SMN1; SMN2MAPK1ATML3MBTL1MEN1
SCHEMBL8400187 0.87 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MEN1LMNAKMT2A

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