SCHEMBL9629587

SCHEMBL9629587

Nc1cc(C2CCCCC2)ccc1C(=S)S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACMSD Q8TDX5 2/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ KMO O15229 1/20 0.37
▸ HDAC2 Q92769 4/20 0.36
▸ HDAC1 Q13547 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35

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
SCHEMBL27545241 0.80 ACMSD (0.53) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL27718282 0.79 ACMSD (0.64) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL3985016 0.79 ACMSD (0.51) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL3985023 0.75 BACE1 (0.51) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL28096625 0.74 ACMSD (0.57) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL2687693 0.74 ACMSD (0.57) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL26800328 0.74 KDM4E (0.54) ACMSDHDAC2HDAC1KDM4EMEN1
SCHEMBL30280786 0.73 ACMSD (0.58) ACMSDKMOHDAC2HDAC1KDM4E
SCHEMBL15156130 0.73 BACE1 (0.49) ACMSDBACE1KMOHDAC2HDAC1
SCHEMBL27512856 0.72 ACMSD (0.45) ACMSDBACE1KMOHDAC2HDAC1

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
US-5147719-A Coatings, impact strength PHILLIPS PETROLEUM COMPANY (US) 1992-09-15 — — US disclosed
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