SCHEMBL3651310

SCHEMBL3651310

Cc1c(C(=O)O)cccc1C1=CC(CC=NNc2nc3ccccc3s2)=CCC1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ GAA P10253 8/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ BCL2L1 Q07817 9/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3777065 0.83 MAPT (0.43) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3009152 0.82 MAPT (0.47) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3655494 0.81 RAB9A (0.44) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3651313 0.78 RAB9A (0.47) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3009155 0.68 MAPT (0.57) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3009149 0.68 MAPT (0.57) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3010891 0.67 MAPT (0.48) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3777067 0.64 MAPT (0.52) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL3013000 0.64 RAB9A (0.45) MAPTGAARAB9ANPC1SMN1; SMN2
SCHEMBL11020602 0.64 MAPT (0.79) MAPTGAARAB9ANPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193127-A1 BENZOTHIAZOLE COMPOUNDS The Walter and Eliza Hall Institute of Medical Research (AU) 2010-06-09 — — EP disclosed
WO-2009039553-A1 BENZOTHIAZOLE COMPOUNDS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2009-04-02 — — WO disclosed
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