SCHEMBL8814557

SCHEMBL8814557

CCN(CC)CCNc1ccc(N=Nc2ccc(S(N)(=O)=O)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ LTK P29376 1/20 0.52
▸ LIMK1 P53667 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ CA2 P00918 7/20 0.46
▸ CA9 Q16790 7/20 0.46
▸ CA1 P00915 4/20 0.46
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL8818181 0.85 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818171 0.85 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL30133461 0.84 MEN1 (0.48) IDO1CA2CA9CA1MAPT
SCHEMBL8439504 0.84 MEN1 (0.48) IDO1CA2CA9CA1MAPT
SCHEMBL8814720 0.84 IDO1 (0.59) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL21580219 0.84 MEN1 (0.48) IDO1CA2CA9CA1MAPT
SCHEMBL8818168 0.83 IDO1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL8818174 0.83 IDO1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL18073621 0.80 CA12 (0.57) IDO1CA2CA9CA1MAPT
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
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