SCHEMBL8358089

SCHEMBL8358089

CCN(CC)CCOc1ccc2nc(Sc3ccc(C#N)cc3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP3A4 P08684 2/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.42
CTSD P07339 4/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
CACNA1H O95180 2/20 0.40
CACNA1B Q00975 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
SCHEMBL8357950 0.88 LMNA (0.60) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8358172 0.87 LMNA (0.59) LMNACYP1A2CYP2D6MAPTMEN1
SCHEMBL8361507 0.87 LMNA (0.59) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361580 0.86 LMNA (0.61) LMNACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL8357751 0.86 MAPT (0.58) LMNACYP1A2CYP2D6CYP3A4MAPT
SCHEMBL8355868 0.82 LMNA (0.54) LMNACYP1A2CYP2D6MAPTL3MBTL1
SCHEMBL8361573 0.82 LMNA (0.53) LMNACYP1A2CYP2D6MAPTMEN1
SCHEMBL8361495 0.82 LMNA (0.53) LMNACYP1A2CYP2D6MAPTMEN1
SCHEMBL8357715 0.80 LMNA (0.52) LMNACYP1A2CYP2D6MAPTMEN1
SCHEMBL8361515 0.78 LMNA (0.61) LMNACYP1A2CYP2D6CYP3A4MAPT

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