SCHEMBL8400488

SCHEMBL8400488

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
OXTR P30559 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 3/20 0.33
TP53 P04637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8396219 0.92 SMN1; SMN2 (0.51) SMN1; SMN2OXTRHPGDMEN1KMT2A
SCHEMBL8400187 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL8395843 0.87 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTTP53MEN1
SCHEMBL8399169 0.86 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL8400489 0.86 MAPK1 (0.44) SMN1; SMN2RAB9AL3MBTL1MAPTTP53
SCHEMBL8399091 0.86 SMN1; SMN2 (0.44) SMN1; SMN2HPGDL3MBTL1MAPTTP53
SCHEMBL8396409 0.85 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL8395457 0.85 MAPT (0.39) SMN1; SMN2OXTRHPGDRAB9AMAPT
SCHEMBL8396079 0.85 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1MAPTTP53LMNA
SCHEMBL8395804 0.85 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A

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