SCHEMBL8399333

SCHEMBL8399333

CCOC(=O)CCC(=O)N(Cc1nc2cc(F)cc(F)c2s1)c1sccc1CC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.32
ADORA2B P29275 1/20 0.31
SDHB P21912 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 1/20 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
SCHEMBL8396432 0.92 SMN1; SMN2 (0.38) AKR1B1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8400193 0.90 AKR1B1 (0.40) AKR1B1MEN1KMT2ALMNA
SCHEMBL8400309 0.86 SMN1; SMN2 (0.34) SMN1; SMN2MEN1KMT2ATDP1L3MBTL1
SCHEMBL8397848 0.86 AKR1B1 (0.37) AKR1B1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8399239 0.86 AKR1A1 (0.38) AKR1B1
SCHEMBL8400557 0.84 SMN1; SMN2 (0.41) AKR1B1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL8395199 0.83 SMN1; SMN2 (0.43) AKR1B1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8395933 0.83 SMN1; SMN2 (0.51) AKR1B1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8395787 0.83 SMN1; SMN2 (0.40) AKR1B1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL8399299 0.82 AKR1B1 (0.37) AKR1B1SMN1; SMN2TDP1MAPTKDM4E

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