SCHEMBL7989055

SCHEMBL7989055

CCOC(=O)c1nc(-c2ccc(CCN3CCOCC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
SLC2A1 P11166 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
TARBP2 Q15633 1/20 0.44
ACHE P22303 1/20 0.43
AVPR1B P47901 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.41
TP53 P04637 2/20 0.41
MDM2 Q00987 1/20 0.41
GCGR P47871 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 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
SCHEMBL7989520 0.92 SLC2A1 (0.51) SIRT2SIRT1SLC2A1SIRT3TARBP2
SCHEMBL7989738 0.87 PARP1 (0.45) ACHEAVPR1BALDH1A1PARP1ERCC1
SCHEMBL7977895 0.86 SIRT2 (0.61) SIRT2SIRT1SLC2A1SIRT3TARBP2
SCHEMBL7977730 0.80 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7991809 0.80 SIRT2 (0.59) SIRT2SIRT1SIRT3TARBP2KDM4E
SCHEMBL7991839 0.80 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2ALDH1A1
SCHEMBL7991536 0.80 SIRT2 (0.52) SIRT2SIRT1SLC2A1SIRT3TARBP2
SCHEMBL7989667 0.79 SIRT2 (0.61) SIRT2SIRT1SIRT3TARBP2KDM4E
SCHEMBL7977903 0.79 AURKA (0.49) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL7977992 0.78 SIRT2 (0.46) SIRT2SIRT1SLC2A1SIRT3TARBP2

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed