SCHEMBL6971478

SCHEMBL6971478

Cc1nn(CC(C)C)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 3/20 0.37
IRAK4 Q9NWZ3 2/20 0.35
PDK2 Q15119 1/20 0.35
NAMPT P43490 1/20 0.35
HTT P42858 1/20 0.33
NNMT P40261 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
APAF1 O14727 1/20 0.32

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
SCHEMBL27634513 0.85 ACHE (0.40) ACHEL3MBTL1POLBNAMPTALDH1A1
SCHEMBL6155749 0.85 ACHE (0.40) ACHEL3MBTL1POLBNAMPTHTT
SCHEMBL2076282 0.83 ACHE (0.39) ACHEL3MBTL1POLBPARP1IRAK4
SCHEMBL31226879 0.83 ACHE (0.41) ACHEL3MBTL1POLBPARP1IRAK4
SCHEMBL952140 0.81 L3MBTL1 (0.50) L3MBTL1POLBNAMPTHTTJAK3
SCHEMBL6156337 0.81 ALDH1A1 (0.43) ACHEL3MBTL1POLBNAMPTALDH1A1
SCHEMBL6154440 0.80 TSHR (0.42) L3MBTL1ALDH1A1
SCHEMBL26419226 0.75 ADORA3 (0.39) L3MBTL1PARP1NAMPTNNMTJAK2
SCHEMBL1224892 0.74 GAA (0.50) POLBNAMPTNNMTALDH1A1
SCHEMBL26406052 0.74 ADORA3 (0.38) L3MBTL1PARP1PDK2NAMPTNNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed