SCHEMBL3777065

SCHEMBL3777065

O=C(O)c1ccc(C2=CC(CC=NNc3nc4ccccc4s3)=CCC2=S)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ GAA P10253 8/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ BCL2L1 Q07817 2/20 0.39
▸ KMT2A Q03164 7/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CSNK1D P48730 2/20 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
SCHEMBL3655494 0.84 RAB9A (0.44) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3651310 0.83 MAPT (0.42) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3010891 0.80 MAPT (0.48) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3777067 0.79 MAPT (0.52) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3655217 0.75 SMN1; SMN2 (0.47) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3010893 0.68 MEN1 (0.67) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3010887 0.68 MEN1 (0.67) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3655499 0.67 RAB9A (0.51) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL3651313 0.66 RAB9A (0.47) MAPTRAB9AGAASMN1; SMN2NPC1
SCHEMBL17123531 0.65 MAPT (0.67) MAPTRAB9AGAASMN1; SMN2NPC1

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
Send feedback