SCHEMBL3651313

SCHEMBL3651313

Cc1c(C(=O)O)cccc1-c1ccc(CC=NNc2nc3ccccc3s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.47
▸ NPC1 O15118 8/20 0.47
▸ GAA P10253 8/20 0.47
▸ SMN1; SMN2 Q16637 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ BCL2L1 Q07817 4/20 0.44
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ NFKB1 P19838 4/20 0.42
▸ NFKB2 Q00653 4/20 0.42
▸ RELA Q04206 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3777067 0.83 MAPT (0.52) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3009155 0.80 MAPT (0.57) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3009149 0.80 MAPT (0.57) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3655499 0.79 RAB9A (0.51) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3651310 0.78 MAPT (0.42) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3647574 0.73 BCL2L1 (0.48) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3655217 0.71 SMN1; SMN2 (0.47) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL11020602 0.68 MAPT (0.79) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3654151 0.68 BCL2L1 (0.57) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3648116 0.68 BCL2L1 (0.49) RAB9ANPC1GAASMN1; SMN2MAPT

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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