SCHEMBL8396245

SCHEMBL8396245

CCOC(=O)CCC(=O)N(Cc1nc2ccc(F)c(F)c2s1)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
AKR1B1 P15121 1/20 0.35
NAAA Q02083 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
TOP2A P11388 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL8398041 0.93 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8396594 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8398060 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8400564 0.90 ALDH1A1 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8395480 0.89 AKR1B1 (0.40) SMN1; SMN2KMT2AMEN1TRPM8AKR1B1
SCHEMBL8398112 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8399123 0.89 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8398117 0.86 SMN1; SMN2 (0.35) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8395635 0.86 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1
SCHEMBL8399112 0.85 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AMEN1L3MBTL1TDP1

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