SCHEMBL6598025

SCHEMBL6598025

CCCCC1C(=O)NC(=O)C1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
PRKCA P17252 1/20 0.32
DAGLA Q9Y4D2 1/20 0.31
CYP19A1 P11511 1/20 0.31
CRBN Q96SW2 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HLCS P50747 1/20 0.30
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL15820503 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL15821046 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8586448 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9408903 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL19508516 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL10649691 0.72 DAGLA (0.41) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL9063018 0.72 ALDH1A1 (0.76) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL5617173 0.71 DAGLA (0.43) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL8469066 0.67 EPHX2 (0.40) ALDH1A1KDM4EMEN1MAPTPKM
SCHEMBL2580220 0.66 ALDH1A1 (0.67) ALDH1A1KDM4EMEN1MAPTPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201664-B1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO LTD (JP) 2004-09-08 EP disclosed
US-6593323-B1 Benzimidazole compound inhibitory action of forming of macrophages and is useful as an active ingredient of a medicament for preventive and/or therapeutic treatment of arteriosclerosis, which is represented by the formula (I): FUJI PHOTO FILM CO., LTD. (JP) 2003-07-15 US disclosed
EP-1201664-A1 BENZIMIDAZOLE COMPOUNDS AND DRUGS CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2002-05-02 EP disclosed