SCHEMBL8358167

SCHEMBL8358167

CCOc1ccc2nc(SC(C)(C)C)sc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.73
MAPT P10636 8/20 0.60
LMNA P02545 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL6902202 0.85 MAPT (0.66) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL6689290 0.85 PDK1 (0.69) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL6665955 0.84 MAPT (0.64) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL8359753 0.84 LMNA (0.64) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL8357768 0.84 MAPT (0.65) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL10475190 0.83 ALDH1A1 (0.67) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL6693785 0.83 PPARA (0.62) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL1129400 0.81 MAPT (0.58) PPARAMAPTLMNAL3MBTL1MAPK1
SCHEMBL14675442 0.81 MAPT (0.67) PPARAMAPTLMNAL3MBTL1MAPK1
Tazasubrate SCHEMBL2109120 0.80 PPARA (0.74) PPARAMAPTLMNAKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed