SCHEMBL8399268

SCHEMBL8399268

CCCOc1ccc(NCc2nc3ccc(F)c(F)c3s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.37
MAPT P10636 5/20 0.37
NPC1 O15118 5/20 0.37
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 2/20 0.36
PDE2A O00408 4/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
CACNA1B Q00975 1/20 0.34
TP53 P04637 3/20 0.34
PDE10A Q9Y233 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8399269 0.83 MAPT (0.38) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8395692 0.82 MAPT (0.36) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8397890 0.81 RAB9A (0.37) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8399713 0.81 AKR1B1 (0.45) MAPT
SCHEMBL8399428 0.80 MEN1 (0.43) SMN1; SMN2MAPTNPC1LMNAMAPK1
SCHEMBL8396660 0.79 MEN1 (0.36) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8398930 0.79 HDAC6 (0.48) SMN1; SMN2MAPTNPC1LMNAL3MBTL1
SCHEMBL8396283 0.79 SYK (0.45) SMN1; SMN2MAPTNPC1L3MBTL1TDP1
SCHEMBL8395544 0.71 GAA (0.43) MAPTLMNAALDH1A1GAAMEN1
SCHEMBL8399348 0.71 LTB4R2 (0.39) MAPTLMNAL3MBTL1ALDH1A1GAA

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