SCHEMBL28360820

SCHEMBL28360820

CC(=O)C1(c2ccccc2)C=CC=CC1.CCOC(=O)C[n+]1ccc(-c2ccncc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 2/20 0.32
▸ CDC7 O00311 2/20 0.32
▸ DBF4 Q9UBU7 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ ERAP1 Q9NZ08 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
Hydrochloric Acid SCHEMBL28360861 0.98 PPID (0.34) PPIDHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL28357011 0.84 ALDH1A1 (0.41) SMN1; SMN2MAPK1NPSR1MAPTKDM4E
SCHEMBL28357385 0.83 NOTUM (0.37) HPGDSMN1; SMN2MAPK1NPSR1MEN1
Bromide SCHEMBL28357038 0.82 NOTUM (0.36) HPGDSMN1; SMN2MAPK1NPSR1MEN1
SCHEMBL28360815 0.78 NPSR1 (0.33) PPIDHPGDSMN1; SMN2MAPK1NPSR1
Bromide SCHEMBL28356974 0.77 NPSR1 (0.33) PPIDHPGDSMN1; SMN2MAPK1NPSR1
SCHEMBL28360786 0.77 PPID (0.49) PPIDHPGDSMN1; SMN2GAACDC7
Hydrochloric Acid SCHEMBL28356951 0.76 PPID (0.48) PPIDHPGDSMN1; SMN2GAACDC7
Hydrochloric Acid SCHEMBL28356953 0.76 PPID (0.48) PPIDHPGDSMN1; SMN2GAACDC7
Hydrochloric Acid SCHEMBL30008506 0.75 PPID (0.47) PPIDHPGDSMN1; SMN2GAACDC7

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
CN-110642778-A Viologen compound, preparation method and application thereof 淮阴师范学院 2020-01-03 — — CN disclosed
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