SCHEMBL8395651

SCHEMBL8395651

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.35
TRPM5 Q9NZQ8 4/20 0.35
TRPA1 O75762 2/20 0.35
AKR1B1 P15121 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL8398024 0.87 MEN1 (0.44) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8399417 0.87 MEN1 (0.47) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8395413 0.84 NPC1 (0.44) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8400423 0.84 MEN1 (0.44) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8396276 0.84 MEN1 (0.47) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8395223 0.81 HDAC6 (0.51) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8395582 0.80 MAPT (0.39) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8400260 0.80 MEN1 (0.39) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8399119 0.77 GAA (0.44) HDAC6SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8398847 0.75 MEN1 (0.41) HDAC6SMN1; SMN2MEN1KMT2AGAA

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