SCHEMBL19648941

SCHEMBL19648941

N#Cc1ccc(NNc2ccc(NNc3ccc(N4CCCC4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
TP53 P04637 1/20 0.56
CHRNA10 Q9GZZ6 1/20 0.47
CHRNA9 Q9UGM1 1/20 0.47
PANK3 Q9H999 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
JAK2 O60674 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NAMPT P43490 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL154178 0.89 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL149656 0.87 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL139427 0.87 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL7402909 0.85 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL2234557 0.81 KDM4E (0.59) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL13098159 0.81 KDM4E (0.59) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL2384959 0.80 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9PANK3
SCHEMBL18409049 0.79 KDM4E (0.56) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL12071033 0.79 KDM4E (0.56) KDM4ETP53CHRNA10CHRNA9MAPT
SCHEMBL12635874 0.79 KDM4E (0.56) KDM4ETP53CHRNA10CHRNA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed