SCHEMBL7989595

SCHEMBL7989595

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
TP53 P04637 2/20 0.51
MDM2 Q00987 1/20 0.51
TARBP2 Q15633 1/20 0.50
GCGR P47871 2/20 0.47
ALOX5 P09917 3/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
MAPT P10636 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
ALPL P05186 1/20 0.42
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL7989597 0.91 SIRT2 (0.53) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL7991728 0.82 SIRT2 (0.53) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL7988569 0.82 ALOX5 (0.48) SIRT2SIRT1SIRT3TP53TARBP2
SCHEMBL7995187 0.81 AR (0.53) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL7989599 0.81 SIRT2 (0.52) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL7989451 0.81 ALOX5 (0.58) TP53GCGRALOX5GABRA2GABRB2
SCHEMBL7989950 0.81 MAPK13 (0.51) MDM2TARBP2ALOX5MAPTSMN1; SMN2
SCHEMBL7990062 0.80 SIRT2 (0.53) SIRT2SIRT1SIRT3TP53TARBP2
SCHEMBL7991839 0.80 SIRT2 (0.50) SIRT2SIRT1SIRT3TP53MDM2
SCHEMBL7989526 0.80 SIRT2 (0.50) SIRT2SIRT1SIRT3TP53MDM2

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