SCHEMBL8400305

SCHEMBL8400305

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1cccc(SCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 7/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HPGD P15428 3/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GLA P06280 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SHMT2 P34897 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
PRNP P04156 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 2/20 0.30

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
SCHEMBL8396430 0.92 SMN1; SMN2 (0.39) SMN1; SMN2MAPTPOLBTP53THRB
SCHEMBL8396429 0.91 LTB4R2 (0.33) HDAC6LTB4R2
SCHEMBL8399267 0.90 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHDAC6ALDH1A1GAA
SCHEMBL8395601 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTHRBHDAC6KDM4E
SCHEMBL8396324 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTPOLBTP53THRB
SCHEMBL8399327 0.88 SMN1; SMN2 (0.38) SMN1; SMN2MAPTPOLBTP53THRB
SCHEMBL8399206 0.87 SMN1; SMN2 (0.40) SMN1; SMN2MAPTHPGDALDH1A1GLA
SCHEMBL8399030 0.87 SMN1; SMN2 (0.40) SMN1; SMN2TP53KMT2AMEN1L3MBTL1
SCHEMBL8396412 0.87 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EHTTGAALTB4R2
SCHEMBL8399809 0.87 SMN1; SMN2 (0.40) SMN1; SMN2MAPTTHRBKMT2AMEN1

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