SCHEMBL6039604

SCHEMBL6039604

NC(=O)[CH]N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 1/20 0.36
F2 P00734 1/20 0.36
HPGD P15428 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
TSHR P16473 1/20 0.32
FGFR4 P22455 1/20 0.32
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
CHKA P35790 1/20 0.31
POLB P06746 1/20 0.31
DPP7 Q9UHL4 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
SCHEMBL6039343 0.97
SCHEMBL1821635 0.77 CA2 (0.38) ALDH1A1CA2CA1TSHRCHKA
SCHEMBL11101489 0.74 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AMMP1
SCHEMBL319864 0.74 ALDH1A1 (0.41) L3MBTL1ALDH1A1NPC1F2HPGD
SCHEMBL17710771 0.72 ALDH1A1 (0.38) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9253930 0.72 ALDH1A1 (0.38) L3MBTL1ALDH1A1F2HPGDMMP1
SCHEMBL16935754 0.72 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTGAAPOLB
SCHEMBL22684280 0.71
SCHEMBL17731151 0.70 ALDH1A1 (0.48) ALDH1A1NPC1HPGDMEN1KMT2A
SCHEMBL30166170 0.70 NPC1 (0.39) L3MBTL1ALDH1A1NPC1HPGDMEN1

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
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed