SCHEMBL8399172

SCHEMBL8399172

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.37
KCNH2 Q12809 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
POLQ O75417 1/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8398241 0.92 SMN1; SMN2 (0.52) LTB4R2SMN1; SMN2MAPTOPRM1KCNH2
SCHEMBL8396315 0.88 SMN1; SMN2 (0.47) LTB4R2SMN1; SMN2MAPTPOLQNPC1
SCHEMBL8395385 0.87 SMN1; SMN2 (0.43) LTB4R2SMN1; SMN2MAPTSIGMAR1POLQ
SCHEMBL8399265 0.87 SMN1; SMN2 (0.47) LTB4R2SMN1; SMN2MAPTNPC1KMT2A
SCHEMBL8399213 0.87 SMN1; SMN2 (0.43) LTB4R2SMN1; SMN2MEN1KMT2ATP53
SCHEMBL8400205 0.87 SMN1; SMN2 (0.43) LTB4R2SMN1; SMN2MAPTPOLQMEN1
SCHEMBL8398029 0.86 LTB4R2 (0.42) LTB4R2SMN1; SMN2OPRM1KCNH2SIGMAR1
SCHEMBL8399169 0.86 SMN1; SMN2 (0.44) LTB4R2SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL8396409 0.86 SMN1; SMN2 (0.59) LTB4R2SMN1; SMN2POLQNPC1MEN1
SCHEMBL8396177 0.86 MTNR1A (0.45) LTB4R2SMN1; SMN2MAPTL3MBTL1MEN1

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