SCHEMBL6525865

SCHEMBL6525865

CC(C)NC(=O)Oc1cccc2cccnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.63
LMNA P02545 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KDM4E B2RXH2 5/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
USP2 O75604 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
NCEH1 Q6PIU2 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CNR1 P21554 3/20 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
SCHEMBL795857 0.84 HSP90AA1 (0.68) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL7364217 0.82 L3MBTL1 (0.62) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL250301 0.82 LMNA (0.65) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL28131091 0.81 HSP90AA1 (0.68) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10752189 0.81 LMNA (0.60) HSP90AA1LMNAL3MBTL1METAP2METAP1
Hydrochloric Acid SCHEMBL2563239 0.80 LMNA (0.63) HSP90AA1LMNAL3MBTL1METAP2METAP1
Butanedione SCHEMBL5530736 0.80 LMNA (0.63) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10751843 0.80 HSP90AA1 (0.63) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10751830 0.78 LMNA (0.60) HSP90AA1LMNAL3MBTL1METAP2METAP1
SCHEMBL10802930 0.78 MAPT (0.55) LMNAL3MBTL1KDM4EPOLBSMN1; SMN2

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-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
CN-101528704-B Serine-threonine protein kinase and PARP modulators CYLENE PHARMACEUTICALS INC 2014-04-09 CN 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