SCHEMBL5209614

SCHEMBL5209614

[CH2]C(=O)NCCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.38
EPHX1 P07099 2/20 0.37
KISS1R Q969F8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ANPEP P15144 3/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA1 P00915 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4C Q9H3R0 2/20 0.34

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
SCHEMBL8186078 0.86
SCHEMBL11168376 0.81 EPHX1 (0.53) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL5208550 0.81 MEN1 (0.35) EPHX1HRH3KDM4EMAPK1HIF1A
SCHEMBL6720432 0.79 CYP2D6 (0.52) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL4762361 0.79 KDM4E (0.61) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL6720431 0.79 MEN1 (0.40) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL5211257 0.78 LMNA (0.42) ANPEPRNPEPDNPEPMEN1KMT2A
SCHEMBL23378214 0.77 BLM (0.38) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL13937744 0.77 ANPEP (0.40) BLMEPHX1KISS1RHRH3ANPEP
SCHEMBL11921172 0.77 KMT2A (0.50) BLMEPHX1KISS1RHRH3ANPEP

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 8 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-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
CN-1046942-C Imidazopyridines MERCK PATENT GMBH (DE) 1999-12-01 CN disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 WO disclosed