SCHEMBL7989515

SCHEMBL7989515

CCOC(=O)c1nc(-c2ccc(N3CCCN(C)CC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.52
SIRT1 Q96EB6 4/20 0.52
ALOX5 P09917 1/20 0.47
BRD4 O60885 2/20 0.47
SIRT3 Q9NTG7 1/20 0.46
MAPT P10636 2/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
MAP2 P11137 1/20 0.43
TARBP2 Q15633 1/20 0.43
MEN1 O00255 1/20 0.42
SLCO2B1 O94956 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2L1 Q07817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42

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
SCHEMBL7977730 0.96 SIRT2 (0.50) SIRT2SIRT1ALOX5BRD4SIRT3
SCHEMBL7991809 0.92 SIRT2 (0.59) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7989667 0.91 SIRT2 (0.61) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7988148 0.88 PRKD3 (0.45) SIRT2SIRT1ALOX5BRD4SIRT3
SCHEMBL7977895 0.87 SIRT2 (0.61) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7977718 0.86 PRKAB2 (0.48) BRD4MAP2ALDH1A1SMN1; SMN2CHEK1
SCHEMBL7989731 0.86 SIRT2 (0.49) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7977723 0.85 SIRT2 (0.48) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7977742 0.85 PRKD3 (0.49) SIRT2SIRT1ALOX5SIRT3MAPT
SCHEMBL7988152 0.84 SIRT2 (0.61) SIRT2SIRT1ALOX5GABRA2GABRB2

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