SCHEMBL2453767

SCHEMBL2453767

N#Cc1cccc(NCc2cc(F)c(F)c(Sc3ccccc3Cl)c2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSD11B1 P28845 3/20 0.35
MAP3K8 P41279 4/20 0.33
PRKACA P17612 1/20 0.32
CDK8 P49336 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCQ Q04759 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
SCN1A P35498 1/20 0.31

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
SCHEMBL2453579 0.91 KDM4E (0.38) KDM4EHPGDTSHRHSD17B10HSD11B1
SCHEMBL2460042 0.85 HPGD (0.40) KDM4EHPGDTSHRHSD17B10HSD11B1
SCHEMBL2458103 0.82 HSD11B1 (0.34) KDM4ETSHRHSD17B10HSD11B1LRRK2
SCHEMBL2454943 0.81 TAS1R3 (0.35) KDM4EHPGDTSHRHSD17B10MAP3K8
SCHEMBL27622962 0.77 HPGD (0.42) KDM4EHPGDTSHRHSD17B10HSD11B1
SCHEMBL2455401 0.77 KDM4E (0.43) KDM4EHPGDTSHRHSD17B10PRKACA
SCHEMBL2453844 0.76 KDM4E (0.36) KDM4EHPGDTSHRHSD17B10PRKACA
SCHEMBL2456356 0.75 KDM4E (0.43) KDM4EHPGDTSHRHSD17B10PRKACA
SCHEMBL2451810 0.73 HSD11B1 (0.34) KDM4ETSHRHSD17B10HSD11B1LRRK2
SCHEMBL2453472 0.71 MEN1 (0.36) KDM4EHPGDTSHRHSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577350-B1 Method for production of halogen-containing phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2011-09-14 EP disclosed
EP-1577350-A1 Method for production of halogen-containing phthalocyanine compound Nippon Shokubai Co., Ltd. (JP) 2005-09-21 EP disclosed