SCHEMBL9550311

SCHEMBL9550311

N#CN1C(=O)C2CCCCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9550333 0.76 POLB (0.41) ALDH1A1L3MBTL1HTTGAAHPGD
SCHEMBL9550340 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTHPGDKMT2A
SCHEMBL9550327 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1HTTHPGDKMT2A
SCHEMBL6731258 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1HTTGAAHPGD
SCHEMBL6222332 0.71 ALDH1A1 (0.43) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL486926 0.67 POLB (0.41) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL12332676 0.67 ALDH1A1 (0.41) ALDH1A1HTTGAAHPGDMEN1
SCHEMBL10715568 0.67 ALDH1A1 (0.45) ALDH1A1HTTPDE4APDE4BPDE4C
SCHEMBL18072219 0.67 POLB (0.41) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL761658 0.67 ALDH1A1 (0.41) ALDH1A1HTTPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613741-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP disclosed
EP-3613740-A1 PREPARATION OF A DIAZABICYCLOOCTANE DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2020-02-26 EP disclosed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed
US-4017299-A Phthalimide derivatives as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1977-04-12 US disclosed
US-3940419-A Phthalimide derivatives and their use as plant growth regulants AMERICAN CYANAMID COMPANY (US) 1976-02-24 US disclosed