SCHEMBL5208633

SCHEMBL5208633

[CH2]CCC(=O)N(CC(C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5210724 0.89 KDM4C (0.33) MEN1HTTKMT2AL3MBTL1CA1
SCHEMBL5204671 0.84 CA1 (0.34) CA1CA12CA2CA9
SCHEMBL5209246 0.78 MEN1 (0.36) MEN1HTTKMT2AL3MBTL1
SCHEMBL5209096 0.75 CA1 (0.37) CA1CA12CA2CA9
SCHEMBL5208802 0.75 CA1 (0.46) MEN1HTTKMT2ACA1CA12
SCHEMBL5204834 0.74 ALDH1A1 (0.38) MEN1HTTKMT2AL3MBTL1CA12
SCHEMBL5211169 0.74 MEN1 (0.36) MEN1HTTKMT2AL3MBTL1CA1
SCHEMBL5209651 0.74
SCHEMBL5209106 0.73 CA1 (0.38) CA1CA12CA2CA9
SCHEMBL5204038 0.72 MEN1 (0.35) MEN1KMT2ACA1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed