SCHEMBL3454629

SCHEMBL3454629

CC(C)=CC(=O)Oc1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
NPSR1 Q6W5P4 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.61
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 2/20 0.58
METAP2 P50579 1/20 0.57
METAP1 P53582 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
POLB P06746 3/20 0.56
MAPT P10636 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSP90AA1 P07900 1/20 0.53
USP2 O75604 1/20 0.52
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
PRSS1 P07477 1/20 0.47

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
SCHEMBL22444485 0.84 LMNA (0.76) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL250301 0.83 LMNA (0.65) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL4205753 0.82 LMNA (0.64) LMNAL3MBTL1NPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL2563239 0.81 LMNA (0.63) LMNAL3MBTL1NPSR1MEN1KMT2A
Butanedione SCHEMBL5530736 0.81 LMNA (0.63) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL28459061 0.79 LMNA (0.69) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL468358 0.79 KDM4E (0.65) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL2839930 0.79 LMNA (0.60) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL3415803 0.78 LMNA (0.71) LMNAL3MBTL1NPSR1MEN1KMT2A
SCHEMBL7364217 0.77 L3MBTL1 (0.62) LMNAL3MBTL1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 EP claimed
EP-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 EP disclosed
US-8623653-B2 Terahertz corrosion detection method BATTELLE MEMORIAL INSTITUTE (US) 2014-01-07 US disclosed
US-20110053275-A1 Corrosion Detection Product and Method BATTELLE MEMORIAL INSTITUTE 2011-03-03 US disclosed
EP-2265677-A1 CORROSION DETECTION PRODUCT AND METHOD Battelle Memorial Institute (US) 2010-12-29 EP disclosed
WO-2009126802-A1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2009-10-15 WO disclosed