SCHEMBL8395223

SCHEMBL8395223

CC(C)c1ccc(NCc2nc3c(F)c(F)ccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.37
AKR1B1 P15121 1/20 0.34
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALOX12 P18054 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPM5 Q9NZQ8 4/20 0.32
TRPA1 O75762 1/20 0.32
NFKB1 P19838 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8396300 0.87 MEN1 (0.43) HDAC6SMN1; SMN2AKR1B1MAPK1MAPT
SCHEMBL8399104 0.86 MAPT (0.39) HDAC6SMN1; SMN2AKR1B1MAPK1KDM4E
SCHEMBL8398879 0.85 AKR1B1 (0.37) HDAC6SMN1; SMN2AKR1B1KDM4EMAPT
SCHEMBL8400236 0.83 HDAC6 (0.36) HDAC6SMN1; SMN2AKR1B1KDM4EGAA
SCHEMBL8398085 0.83 AKR1B1 (0.44) SMN1; SMN2AKR1B1MAPK1KDM4EGAA
SCHEMBL8396302 0.81 HDAC6 (0.45) HDAC6AKR1B1
SCHEMBL8395651 0.81 HDAC6 (0.52) HDAC6SMN1; SMN2AKR1B1MAPK1KDM4E
SCHEMBL8398930 0.80 HDAC6 (0.48) HDAC6SMN1; SMN2MAPK1KDM4EGAA
SCHEMBL8398019 0.78 GAA (0.43) HDAC6AKR1B1KDM4EGAAMAPT
SCHEMBL8395622 0.76 KDM4E (0.41) HDAC6SMN1; SMN2AKR1B1KDM4EGAA

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