SCHEMBL8398241

SCHEMBL8398241

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 1/20 0.46
LTB4R2 Q9NPC1 6/20 0.43
NPC1 O15118 1/20 0.41
OPRM1 P35372 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLQ O75417 1/20 0.37
LMNA P02545 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8399172 0.92 LTB4R2 (0.45) SMN1; SMN2MAPTLTB4R2NPC1OPRM1
SCHEMBL8398029 0.89 LTB4R2 (0.42) SMN1; SMN2LTB4R2NPC1OPRM1KCNH2
SCHEMBL8396593 0.88 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLTB4R2NPC1POLQ
SCHEMBL8395141 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTPOLQLMNACYP4F2
SCHEMBL8399240 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1POLQCYP4F2CYP4A11
SCHEMBL8398292 0.86 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLTB4R2NPC1
SCHEMBL8395306 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLTB4R2LMNAL3MBTL1
SCHEMBL8398077 0.85 SMN1; SMN2 (0.72) SMN1; SMN2POLQCYP4F2CYP4A11
SCHEMBL8400239 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTNPC1
SCHEMBL8399194 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTNPC1LMNAL3MBTL1

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