SCHEMBL7864202

SCHEMBL7864202

CC(C)(C)N(Cc1ccc(C(=N)N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
F2 P00734 3/20 0.50
PLG P00747 1/20 0.50
C1S P09871 1/20 0.50
LMNA P02545 3/20 0.47
F10 P00742 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NQO2 P16083 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ST14 Q9Y5Y6 2/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
TSHR P16473 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.40

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
SCHEMBL21683301 0.81 LMNA (0.45) F2LMNAF10MEN1KMT2A
SCHEMBL21683300 0.81 LMNA (0.45) F2LMNAF10MEN1KMT2A
SCHEMBL7337416 0.81 PLAU (0.60) PRSS1PRSS2PRSS3F2PLG
SCHEMBL335254 0.80 MEN1 (0.50) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL15328453 0.80 MEN1 (0.50) LMNALOXL2MEN1KMT2AHTT
SCHEMBL7337293 0.79 PLAU (0.60) PRSS1F2PLG
SCHEMBL356816 0.78 MEN1 (0.51) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL7463434 0.78 PRSS1 (0.58) PRSS1PRSS2PRSS3F2PLG
SCHEMBL18527956 0.78 MEN1 (0.51) LMNAMEN1KMT2AHTTL3MBTL1
SCHEMBL8773482 0.77 MEN1 (0.69) LMNAMEN1KMT2AHTTL3MBTL1

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-0701568-B1 NEW PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-25 EP disclosed
EP-1067136-A1 New peptide derivatives AstraZeneca AB (SE) 2001-01-10 EP disclosed