SCHEMBL8816079

SCHEMBL8816079

CCN(CC)CCNc1ccc(N=Nc2ccccc2)c2cc(OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ NQO2 P16083 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APP P05067 2/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8816075 1.00 CHEK1 (0.46) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8816528 0.96 CHEK1 (0.44) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8816534 0.96 CHEK1 (0.44) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818120 0.90 CHEK1 (0.45) CHEK1PIM1IDO1LTKLIMK1
Diethylamine SCHEMBL8818126 0.87 CHEK1 (0.42) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818171 0.85 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818181 0.85 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8437411 0.84 FERMT2 (0.49) IDO1ALDH1A1NPSR1MAPTLMNA
SCHEMBL8441871 0.80 FERMT2 (0.49) IDO1ALDH1A1NPSR1MAPTKDM4E
SCHEMBL8818039 0.80 CHEK1 (0.50) CHEK1PIM1IDO1LTKLIMK1

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-1997016194-A1 NAPHTHYLAZO INHIBITION OF AMYLOIDOSIS WARNER-LAMBERT COMPANY (US) 1997-05-09 — — WO claimed
Send feedback