SCHEMBL8395692

SCHEMBL8395692

CCCOc1ccc(NCc2nc3c(F)c(F)ccc3s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
CACNA1B Q00975 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTPN7 P35236 2/20 0.33
DUSP3 P51452 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
IDH1 O75874 3/20 0.33
AKR1B1 P15121 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
SCHEMBL8399713 0.83 AKR1B1 (0.45) MAPTAKR1B1
SCHEMBL8399268 0.82 SMN1; SMN2 (0.37) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8395582 0.82 MAPT (0.39) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8399104 0.82 MAPT (0.39) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8398879 0.81 AKR1B1 (0.37) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8396300 0.80 MEN1 (0.43) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8400236 0.79 HDAC6 (0.36) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8398153 0.78 SYK (0.44) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL8399269 0.74 MAPT (0.38) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL8395622 0.72 KDM4E (0.41) MAPTNPC1SMN1; SMN2RAB9AL3MBTL1

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