SCHEMBL3777067

SCHEMBL3777067

O=C(O)c1ccc(-c2ccc(CC=NNc3nc4ccccc4s3)s2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.52
▸ GAA P10253 9/20 0.52
▸ SMN1; SMN2 Q16637 9/20 0.52
▸ NPC1 O15118 9/20 0.52
▸ RAB9A P51151 9/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ KMT2A Q03164 10/20 0.46
▸ MEN1 O00255 9/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ NFKB1 P19838 6/20 0.45
▸ NFKB2 Q00653 6/20 0.45
▸ RELA Q04206 6/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CSNK1D P48730 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ NCS1 P62166 1/20 0.43

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
SCHEMBL3655499 0.85 RAB9A (0.51) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3655217 0.83 SMN1; SMN2 (0.47) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3651313 0.83 RAB9A (0.47) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3777065 0.79 MAPT (0.43) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3010887 0.78 MEN1 (0.67) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3010893 0.78 MEN1 (0.67) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3647574 0.75 BCL2L1 (0.48) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3649157 0.72 GAA (0.54) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3654151 0.71 BCL2L1 (0.57) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL3648116 0.71 BCL2L1 (0.49) MAPTGAASMN1; SMN2NPC1RAB9A

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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