SCHEMBL5204038

SCHEMBL5204038

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX2 P34913 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
SCHEMBL5203563 0.88 EPHX2 (0.35) MEN1KMT2ACA1CA12CA2
SCHEMBL5206518 0.83 CA1 (0.37) MEN1KMT2ACA1CA12CA2
SCHEMBL5208876 0.82 ALDH1A1 (0.38) CA1CA12CA2CA9
SCHEMBL5211071 0.81 MEN1 (0.36) MEN1KMT2AEPHX2
SCHEMBL5208802 0.78 CA1 (0.46) MEN1KMT2ACA1CA12CA2
SCHEMBL5205990 0.78 EPHX2 (0.42) MEN1KMT2ACA12CA2CA9
SCHEMBL5211169 0.77 MEN1 (0.36) MEN1KMT2ACA1CA12CA2
SCHEMBL20794414 0.76 CA1 (0.38) MEN1KMT2ACA1CA12CA2
SCHEMBL5208269 0.75 EPHX2 (0.50) MEN1KMT2ACA1CA12CA9
SCHEMBL5211102 0.73 LMNA (0.45) 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 5 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
CN-1250447-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AG (DE) 2000-04-12 CN 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