SCHEMBL8818039

SCHEMBL8818039

CCN(CC)CCNc1ccc(N=Nc2ccc(OCCN(CC)CC)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ LTK P29376 1/20 0.50
▸ LIMK1 P53667 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ CYP2D6 P10635 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EBP Q15125 3/20 0.39
▸ SIGMAR1 Q99720 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KCNH2 Q12809 3/20 0.39
▸ CHRM2 P08172 3/20 0.39
▸ ADRA2A P08913 3/20 0.39
▸ ADORA3 P0DMS8 3/20 0.39
▸ CHRM1 P11229 3/20 0.39

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
SCHEMBL8814541 0.93 CHEK1 (0.50) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8814540 0.93 CHEK1 (0.50) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818120 0.89 CHEK1 (0.45) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8817997 0.89 CHEK1 (0.47) CHEK1PIM1IDO1LTKLIMK1
Diethylamine SCHEMBL8818049 0.89 CHEK1 (0.47) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8817990 0.89 CHEK1 (0.47) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818181 0.86 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818171 0.86 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8814720 0.85 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818174 0.84 IDO1 (0.54) 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
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