SCHEMBL8399417

SCHEMBL8399417

Clc1ccc(NCc2nc3c(Cl)c(Cl)ccc3s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39
TRPA1 O75762 2/20 0.38
TRPM5 Q9NZQ8 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL8395413 0.89 NPC1 (0.44) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8398024 0.89 MEN1 (0.44) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8400423 0.89 MEN1 (0.44) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8396276 0.89 MEN1 (0.47) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8395651 0.87 HDAC6 (0.52) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8399119 0.84 GAA (0.44) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8396300 0.82 MEN1 (0.43) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8395582 0.81 MAPT (0.39) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8400260 0.81 MEN1 (0.39) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8398847 0.79 MEN1 (0.41) MEN1KMT2ANPC1LMNAMAPT

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