SCHEMBL3454103

SCHEMBL3454103

COc1cc(N)c(C)c2c(C)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
CASP6 P55212 1/20 0.44
G6PD P11413 1/20 0.44
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CCR1 P32246 1/20 0.37

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
SCHEMBL14389206 0.89 NSD2 (0.47) NSD2CASP6G6PDMAPTGAA
SCHEMBL6971396 0.82 NOS2 (0.45) NOS3NOS2CYP3A4CCR1CCR5
SCHEMBL11544326 0.81 NSD2 (0.46) NSD2CASP6G6PDGSK3BMAOA
SCHEMBL8118907 0.80 NSD2 (0.41) NSD2CASP6G6PDMAPTGAA
SCHEMBL11546694 0.80 NSD2 (0.44) NSD2CASP6G6PDMAPTGAA
SCHEMBL13811008 0.80 NSD2 (0.44) NSD2CASP6G6PDMAPTGAA
SCHEMBL11073594 0.74 MAOA (0.50) NSD2CASP6G6PDGSK3BPRKD3
SCHEMBL10945262 0.72 MAOA (0.40) NSD2CASP6G6PDGSK3BMAOA
SCHEMBL7177793 0.72 NSD2 (0.41) NSD2CASP6G6PDMAPTGAA
SCHEMBL10946135 0.71 MAOA (0.39) MAOAMAOB

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