SCHEMBL7705050

SCHEMBL7705050

COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ MMP12 P39900 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ CDC25A P30304 3/20 0.44
▸ CDC25B P30305 3/20 0.44
▸ CDC25C P30307 3/20 0.44
▸ DUSP3 P51452 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ THRB P10828 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6196901 0.88 MAPT (0.64) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6200789 0.85 MAPT (0.57) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL7501066 0.85 MAPT (0.59) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6200730 0.81 MAPT (0.55) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6198593 0.80 MAPT (0.52) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6194082 0.80 MAPT (0.60) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL6199558 0.80 CYP1A1 (0.61) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL15668432 0.79 ALDH1A1 (0.51) MAPTNPC1RAB9AMMP12ALDH1A1
SCHEMBL8525270 0.77 SMN1; SMN2 (0.70) MAPTNPC1RAB9AMMP12ALDH1A1
Hydrochloric Acid SCHEMBL6202875 0.76 MAPT (0.64) MAPTNPC1RAB9AMMP12ALDH1A1

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
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 — — US disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 — — US disclosed
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