SCHEMBL7977992

SCHEMBL7977992

CCOC(=O)c1nc(-c2ccc(N3CCC4(CC3)CN(C)CCO4)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 3/20 0.46
SIRT3 Q9NTG7 1/20 0.41
BRD4 O60885 2/20 0.41
ALOX5 P09917 1/20 0.41
TARBP2 Q15633 1/20 0.41
MAPT P10636 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2D Q13557 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIM3 Q86V86 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL7989670 0.88 BRD4 (0.41) BRD4MAPTSMN1; SMN2HSD17B10
SCHEMBL7977723 0.85 SIRT2 (0.48) SIRT2SIRT1SIRT3ALOX5TARBP2
SCHEMBL7977730 0.85 SIRT2 (0.50) SIRT2SIRT1SIRT3BRD4ALOX5
SCHEMBL7977895 0.85 SIRT2 (0.61) SIRT2SIRT1SIRT3ALOX5TARBP2
SCHEMBL7991809 0.83 SIRT2 (0.59) SIRT2SIRT1SIRT3ALOX5TARBP2
SCHEMBL7989667 0.82 SIRT2 (0.61) SIRT2SIRT1SIRT3ALOX5TARBP2
SCHEMBL7989515 0.82 SIRT2 (0.52) SIRT2SIRT1SIRT3BRD4ALOX5
SCHEMBL7977846 0.81 FGFR1 (0.44) BRD4MAPTAURKBEGFRKDM4E
SCHEMBL7989731 0.81 SIRT2 (0.49) SIRT2SIRT1SIRT3ALOX5TARBP2
SCHEMBL7977742 0.80 PRKD3 (0.49) SIRT2SIRT1SIRT3ALOX5TARBP2

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