SCHEMBL10720844

SCHEMBL10720844

CC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCNCCO)C2=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HEXA P06865 9/20 0.57
▸ HEXB P07686 9/20 0.57
▸ OGA O60502 1/20 0.57
▸ SIRT1 Q96EB6 3/20 0.54
▸ KLK7 P49862 1/20 0.54
▸ FTO Q9C0B1 2/20 0.51
▸ TERT O14746 1/20 0.50
▸ DYRK3 O43781 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ EPHA2 P29317 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL8395426 0.92 SIRT1 (0.65) HEXAHEXBOGASIRT1KLK7
SCHEMBL14557208 0.83 KLK7 (0.57) HEXAHEXBSIRT1KLK7FTO
SCHEMBL11440392 0.82 FTO (0.71) HEXAHEXBKLK7FTOTERT
SCHEMBL3851575 0.81 KMT2A (0.67) KLK7FTOKDM4EALDH1A1GAA
SCHEMBL5123962 0.81 KDM4E (0.64) KLK7FTOKDM4EALDH1A1
SCHEMBL11441489 0.80 KMT2A (0.64) KLK7FTOKDM4EALDH1A1GAA
SCHEMBL8668083 0.80 KLK7 (0.53) HEXAHEXBOGAKLK7FTO
SCHEMBL8671343 0.78 KLK7 (0.51) HEXAHEXBKLK7FTOKDM4E
SCHEMBL8668087 0.78 KLK7 (0.51) HEXAHEXBOGAKLK7FTO
SCHEMBL8398382 0.76 KLK7 (0.54) HEXAHEXBOGAKLK7FTO

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
EP-0243841-A1 Benzo[d,e]isoquinoline-1,3 diones, their preparation and use KNOLL AG (DE) 1987-11-04 — — EP disclosed
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