SCHEMBL9255839

SCHEMBL9255839

COc1ccc(-c2c[nH]c(Sc3cccs3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ATP4A P20648 2/20 0.40
▸ ATP4B P51164 2/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MCL1 Q07820 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
SCHEMBL6484619 0.76 PDE10A (0.60) MAPTALDH1A1MEN1KMT2APDE10A
SCHEMBL2787396 0.71 FBP1 (0.43) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12735602 0.68 PDGFRB (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11771726 0.68 KDM4E (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11048397 0.67 PDGFRB (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6598963 0.67 PDGFRB (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1853061 0.67 NPC1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8508679 0.67 PDGFRB (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL27914891 0.67 PDGFRB (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL650259 0.66 NPC1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; 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
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO disclosed
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