SCHEMBL8399715

SCHEMBL8399715

CCOC(=O)CCC(=O)N(Cc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
SCN1A P35498 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
CFTR P13569 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
SCHEMBL8398030 0.92 SMN1; SMN2 (0.38) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8398045 0.90 SMN1; SMN2 (0.42) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8400310 0.90 SMN1; SMN2 (0.41) SMN1; SMN2AKR1B1MAPTKDM4ENPC1
SCHEMBL8396288 0.90 AKR1B1 (0.38) AKR1B1MEN1KMT2AMAPTKDM4E
SCHEMBL8398087 0.90 SMN1; SMN2 (0.39) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8396319 0.88 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8397106 0.88 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AATM
SCHEMBL8399196 0.88 SMN1; SMN2 (0.40) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8396242 0.88 SMN1; SMN2 (0.52) SMN1; SMN2AKR1B1MEN1KMT2AMAPT
SCHEMBL8398046 0.87 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMAPTKDM4ENPC1

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