SCHEMBL4612867

SCHEMBL4612867

Ic1ccnc(-c2cccnc2-c2ccccn2)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
BLM P54132 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TGFBR1 P36897 3/20 0.39
ULK1 O75385 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCE Q02156 1/20 0.38
CAMK2G Q13555 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38

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
SCHEMBL4614805 0.88 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4613442 0.84 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29648219 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30586095 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5595486 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31365059 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29539491 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31635941 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30031 0.78 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4613441 0.77 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1520846-B1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORP (JP) 2008-03-05 EP disclosed
US-7138484-B2 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2006-11-21 US disclosed
US-20050075478-A1 Method for producing polymerized hydrocarbon JFE CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
EP-1520846-A1 Method for producing polymerized hydrocarbon JFE Chemical Corporation (JP) 2005-04-06 EP disclosed