SCHEMBL5030798

SCHEMBL5030798

O=C(O)c1ccc(C(F)(F)F)n(CBr)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
XBP1 P17861 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G1B P04054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
MYC P01106 1/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CMA1 P23946 3/20 0.33
CYP1A2 P05177 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 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
SCHEMBL3051490 0.82 LMNA (0.44) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL3054971 0.80 L3MBTL1 (0.62) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL3051487 0.79 LMNA (0.44) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL3057090 0.78 LMNA (0.43) LMNAXBP1MEN1KMT2APLA2G1B
Hydrochloric Acid SCHEMBL31186128 0.75 LMNA (0.41) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL3051505 0.75 RAB9A (0.48) LMNAXBP1MEN1KMT2AMYC
SCHEMBL31185985 0.72 LMNA (0.39) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL31185929 0.72 LMNA (0.39) LMNAXBP1MEN1KMT2APLA2G1B
SCHEMBL3050974 0.71 NOTUM (0.57) LMNAXBP1MEN1KMT2AL3MBTL1
SCHEMBL3054252 0.71 NOTUM (0.40) LMNAXBP1MEN1KMT2APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1982978-B1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-08-27 EP disclosed
EP-1982978-A1 PYRIDONE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-22 EP disclosed