SCHEMBL5209772

SCHEMBL5209772

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA1 P00915 3/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.31
DUT P33316 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
SCHEMBL5211169 0.88 MEN1 (0.36) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL22872814 0.83 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL5210747 0.82 CA1 (0.43) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL22872800 0.82 KDM4C (0.51) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL23872567 0.80 KDM4C (0.54) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL15218603 0.80 CA12 (0.42) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL21227763 0.80 KDM4C (0.54) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL14012071 0.79 CA1 (0.46) CHRNB2CHRNB4CHRNA4KDM4CKDM4A
SCHEMBL5210366 0.79 CA1 (0.38) MEN1HTTKMT2AL3MBTL1CA1
SCHEMBL21227661 0.78 EPHX2 (0.47) MEN1KMT2AALDH1A1LMNA

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