SCHEMBL8395386

SCHEMBL8395386

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
AKR1B1 P15121 1/20 0.35
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
MEN1 O00255 3/20 0.31
KDM4E B2RXH2 2/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTT P42858 2/20 0.31
PKM P14618 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL8398955 0.90 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTL3MBTL1NPC1
SCHEMBL8400252 0.89 AKR1B1 (0.41) SMN1; SMN2AKR1B1HPGDMAPTNPC1
SCHEMBL8399208 0.89 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MAPTL3MBTL1NPC1
SCHEMBL8397992 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MAPTL3MBTL1NPC1
SCHEMBL8396310 0.88 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1HPGDMAPTL3MBTL1
SCHEMBL8399110 0.87 ALDH1A1 (0.39) SMN1; SMN2AKR1B1HPGDMAPTL3MBTL1
SCHEMBL8399080 0.86 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1HPGDMAPTL3MBTL1
SCHEMBL8396242 0.85 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1HPGDMAPTL3MBTL1
SCHEMBL8398087 0.84 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MAPTNPC1KMT2A
SCHEMBL8395389 0.83 SMN1; SMN2 (0.35) SMN1; SMN2AKR1B1MAPTNPC1KMT2A

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