SCHEMBL8096306

SCHEMBL8096306

CC(=O)NCCC/C(=N\NC(N)=S)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.57
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ATM Q13315 1/20 0.52
METTL3 Q86U44 1/20 0.52
CTSB P07858 2/20 0.45

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
SCHEMBL8096310 1.00 CTSL (0.57) CTSLGAAMAPTL3MBTL1ATM
SCHEMBL8096343 0.84 GAA (0.53) CTSLGAAMAPTL3MBTL1
SCHEMBL8096338 0.84 GAA (0.53) CTSLGAAMAPTL3MBTL1
SCHEMBL8038231 0.83 ATM (0.58) CTSLATMMETTL3CTSB
SCHEMBL8038235 0.83 ATM (0.58) CTSLATMMETTL3CTSB
SCHEMBL5146320 0.83 CTSL (0.50) CTSLGAAMAPTL3MBTL1ATM
SCHEMBL7165299 0.81 CTSL (0.53) CTSLGAAMAPTL3MBTL1
SCHEMBL941478 0.80 CTSL (0.66) CTSLGAAMAPTL3MBTL1ATM
SCHEMBL941477 0.80 CTSL (0.66) CTSLGAAMAPTL3MBTL1ATM
SCHEMBL5146258 0.80 CTSL (0.58) CTSLGAAMAPTL3MBTL1ATM

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-6034272-A CARDIOVASCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-03-07 US claimed
WO-1998057929-A1 ELEVATION OF HDL CHOLESTEROL BY N-[4-[ (AMINOTHIOXOMETHYL) HYDRAZONO] -4-ARYLBUTYL]AMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO claimed
US-6034272-A CARDIOVASCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-03-07 US disclosed