SCHEMBL6155749

SCHEMBL6155749

CC(=O)c1cn(CC(C)C)nc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
NAMPT P43490 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KAT2B Q92831 1/20 0.33
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
APAF1 O14727 2/20 0.33
GAA P10253 1/20 0.32
POLB P06746 2/20 0.32
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31

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 0.86 ACHE (0.40) ACHENAMPTL3MBTL1ALDH1A1LMNA
SCHEMBL6971478 0.85 ACHE (0.39) ACHENAMPTHTTL3MBTL1ALDH1A1
SCHEMBL17454362 0.85 NAMPT (0.37) ACHENAMPTSMN1; SMN2HTTL3MBTL1
SCHEMBL6156337 0.82 ALDH1A1 (0.43) ACHENAMPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL334433 0.80 NAMPT (0.54) NAMPTSMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL23399531 0.74 ACHE (0.40) ACHESMN1; SMN2HTTL3MBTL1USP2
SCHEMBL1639886 0.74 GAA (0.51) NAMPTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL19121717 0.74 ACHE (0.35) ACHESMN1; SMN2HTTPOLBCYP2C19
SCHEMBL22649179 0.73 SMN1; SMN2 (0.41) ACHESMN1; SMN2HTTALDH1A1POLB
SCHEMBL26499767 0.73 L3MBTL1 (0.44) ACHESMN1; SMN2HTTL3MBTL1ALDH1A1

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-1580189-A1 4-AMINO-5-METHYLPYRAZOLE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF Sankyo Agro Company, Limited (JP) 2005-09-28 EP disclosed