SCHEMBL7989599

SCHEMBL7989599

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 1/20 0.52
TARBP2 Q15633 1/20 0.49
TP53 P04637 2/20 0.47
MDM2 Q00987 1/20 0.47
GCGR P47871 1/20 0.47
ALOX5 P09917 4/20 0.45
PARP1 P09874 1/20 0.44
MAP2 P11137 1/20 0.43
MAPT P10636 3/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
ALOX15 P16050 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
ALPL P05186 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL7991839 0.89 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7989686 0.85 PARP1 (0.48) GCGRALOX5PARP1MAP2ERCC1
SCHEMBL7991728 0.81 SIRT2 (0.53) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7989595 0.81 SIRT2 (0.53) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7989597 0.81 SIRT2 (0.53) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7995187 0.80 AR (0.53) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7989520 0.80 SLC2A1 (0.51) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7988443 0.79 PRMT5 (0.56) SIRT2SIRT1SIRT3MAPTGABRA2
SCHEMBL7989526 0.79 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2TP53
SCHEMBL7988060 0.79 SIRT2 (0.50) SIRT2SIRT1SIRT3TARBP2TP53

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