SCHEMBL8216031

SCHEMBL8216031

CC(=O)CCc1ccncc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.52
AOC3 Q16853 2/20 0.52
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
IAPP P10997 1/20 0.41
LMNA P02545 1/20 0.38
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37

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
SCHEMBL2999880 0.84 AOC1 (0.53) AOC1AOC3ALDH1A1KDM4ETDP1
SCHEMBL8071332 0.82 AOC1 (0.55) AOC1AOC3ALDH1A1KDM4ETDP1
SCHEMBL4378971 0.82 CCNC (0.54) AOC1AOC3ALDH1A1KDM4ETDP1
SCHEMBL3651691 0.80 CYP4F2 (0.50) AOC1AOC3ALDH1A1KDM4EMAPT
SCHEMBL2995694 0.78 AOC1 (0.50) AOC1AOC3ALDH1A1KDM4ETDP1
SCHEMBL25046268 0.77 SIRT3 (0.44) ALDH1A1TDP1KDM4CIAPPLMNA
SCHEMBL5748797 0.77
SCHEMBL30210557 0.77
SCHEMBL1979284 0.76 AOC1 (0.61) AOC1AOC3ALDH1A1KDM4ETDP1
SCHEMBL8047522 0.76 AOC1 (0.61) AOC1AOC3ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed