SCHEMBL9533264

SCHEMBL9533264

CC(=O)NC1CC(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.57
SIRT1 Q96EB6 2/20 0.54
ABCC9 O60706 10/20 0.53
KDM4E B2RXH2 1/20 0.49
ABCB1 P08183 3/20 0.46
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
ABCC8 Q09428 2/20 0.43
KCNJ11 Q14654 2/20 0.43
KCNJ8 Q15842 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL9529658 0.88 SIRT2 (0.52) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9530742 0.86 SIRT2 (0.51) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9354203 0.83 SIRT2 (0.57) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9272118 0.83 SIRT2 (0.72) SIRT2SIRT1
SCHEMBL9267741 0.82 SIRT2 (0.57) SIRT2SIRT1ABCB1
SCHEMBL9265874 0.82 SIRT2 (0.52) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9215032 0.82 SIRT2 (0.52) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9180509 0.82 SIRT2 (0.52) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL9177750 0.82 SIRT2 (0.52) SIRT2SIRT1ABCC9KDM4EABCB1
SCHEMBL4257277 0.81 CNR1 (0.54) SIRT2SIRT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138134-B1 CHROMAN DERIVATIVES BEECHAM GROUP PLC (GB) 1989-04-19 EP claimed
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed
EP-0138134-B1 CHROMAN DERIVATIVES BEECHAM GROUP PLC (GB) 1989-04-19 EP disclosed