SCHEMBL3655217

SCHEMBL3655217

O=C(O)c1ccc(-c2cccc(CC=NNc3nc4ccccc4s3)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CSNK1D P48730 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGDS O60760 2/20 0.42
▸ BCL2L1 Q07817 4/20 0.42
▸ PTP4A3 O75365 1/20 0.41
▸ SCD O00767 1/20 0.40
▸ NR4A2 P43354 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
SCHEMBL3654151 0.85 BCL2L1 (0.57) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3648116 0.83 BCL2L1 (0.49) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3777067 0.83 MAPT (0.52) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3009522 0.78 MEN1 (0.63) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3009525 0.78 MEN1 (0.63) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3777065 0.75 MAPT (0.43) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3647574 0.73 BCL2L1 (0.48) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3655499 0.73 RAB9A (0.51) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3649157 0.72 GAA (0.54) SMN1; SMN2RAB9AGAANPC1MAPT
SCHEMBL3010893 0.72 MEN1 (0.67) SMN1; SMN2RAB9AGAANPC1MAPT

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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