SCHEMBL8360147

SCHEMBL8360147

CCN(CC)CCOc1ccc2nc(SCC(C)C)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
MAPT P10636 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 1/20 0.48
ALOX5 P09917 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
PPARA Q07869 2/20 0.47
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL10733404 0.86 LMNA (0.64) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361658 0.85 MAPT (0.65) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361515 0.84 LMNA (0.61) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8357469 0.83 MAPT (0.60) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361433 0.83 LMNA (0.59) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8359753 0.82 LMNA (0.64) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8355843 0.82 LMNA (0.58) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8355890 0.81 MAPT (0.61) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361580 0.80 LMNA (0.61) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361980 0.79 LMNA (0.55) LMNACYP1A2CYP2D6MAPTL3MBTL1

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