SCHEMBL3453971

SCHEMBL3453971

CC(=O)NCCOc1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
POLB P06746 1/20 0.64
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
MAPK1 P28482 1/20 0.61
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
GLRA3 O75311 2/20 0.56
GLRB P48167 1/20 0.56
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.54
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL23196064 0.82 POLB (0.54) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL23195544 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL1115678 0.81 MAPT (0.60) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL30345053 0.80 KDM4E (0.59) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL30336602 0.80 KDM4E (0.59) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL25717389 0.80 KDM4E (0.59) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL1115580 0.80 MAPT (0.62) KDM4EALDH1A1HPGDPOLBMEN1
Hydrochloric Acid SCHEMBL5838632 0.80 MAPT (0.59) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL595164 0.79 MEN1 (0.65) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL8871046 0.78 MAPT (0.67) KDM4EALDH1A1HPGDPOLBMEN1

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