SCHEMBL7694342

SCHEMBL7694342

Cc1ccc(C)n1-c1cccc(-c2ccc3c(n2)-c2nc4nc5c(cc4cc2CC3)CCc2ccc(C(=O)O)nc2-5)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 5/20 0.36
MYC P01106 5/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PADI1 Q9ULC6 1/20 0.32
PADI3 Q9ULW8 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PADI2 Q9Y2J8 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
NR4A1 P22736 2/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSPA1A P0DMV8 1/20 0.32

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
Potassium SCHEMBL7262757 0.99 ECE1 (0.36) ECE1MYCKDM4EPDE4APDE4B
Potassium Ion SCHEMBL7262753 0.90 ADORA2A (0.31) ADORA2AADORA1KCNH2
SCHEMBL7697246 0.81 PDE4A (0.42) ECE1KDM4EPDE4APDE4BPDE4C
SCHEMBL7268056 0.74 ALDH1A1 (0.33) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL6766149 0.66 KDM4E (0.36) ECE1KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6621303 0.64 KDM4E (0.50) MYCKDM4ENR4A1MEN1USP2
SCHEMBL2969912 0.61 RAB9A (0.54) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL28053317 0.61 KDM4E (0.51) KDM4EALDH1A1POLBGAAALOX15
SCHEMBL14610321 0.60 KDM4E (0.48) ECE1KDM4EMEN1ALDH1A1MAPT
SCHEMBL18586993 0.60 MAPT (0.45) MYCKDM4ENR4A1MEN1USP2

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
WO-2002014465-A2 MULTICYCLIC AROMATIC COMPOUNDS AND USES THEREOF ROCHE DIAGNOSTICS CORPORATION (US) 2002-02-21 WO disclosed