SCHEMBL7977684

SCHEMBL7977684

CCOC(=O)c1nc(-c2ccc(N3CCOCC3)cc2)[nH]c1-c1ccc(C)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.60
SIRT1 Q96EB6 2/20 0.60
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MTOR P42345 5/20 0.47
LMNA P02545 2/20 0.46
CSNK1D P48730 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
CLK2 P49760 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2D Q13557 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
AURKB Q96GD4 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
STK17A Q9UEE5 1/20 0.43
MAP4K5 Q9Y4K4 1/20 0.43

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
SCHEMBL7989922 0.87 SIRT2 (0.48) SIRT2SIRT1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7989978 0.85 SIRT2 (0.61) SIRT2SIRT1KDM4EALDH1A1MTOR
SCHEMBL7977895 0.85 SIRT2 (0.61) SIRT2SIRT1KDM4EALDH1A1MTOR
SCHEMBL7992000 0.80 MAPT (0.50) SIRT2SIRT1KDM4ESMN1; SMN2MAPT
SCHEMBL7988996 0.79 RAB9A (0.44) SIRT2SIRT1KDM4EALDH1A1MTOR
SCHEMBL7988152 0.79 SIRT2 (0.61) SIRT2SIRT1KDM4EALDH1A1LMNA
SCHEMBL7992080 0.77 MAPT (0.41) SIRT2SIRT1KDM4ELMNASMN1; SMN2
SCHEMBL7991536 0.77 SIRT2 (0.52) SIRT2SIRT1KDM4EALDH1A1MTOR
SCHEMBL7989361 0.77 SIRT2 (0.52) SIRT2SIRT1KDM4EALDH1A1MTOR
SCHEMBL7987913 0.77 SIRT2 (0.59) SIRT2SIRT1KDM4EALDH1A1LMNA

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