SCHEMBL27800313

SCHEMBL27800313

O=C(NCc1ccc(-c2ccccc2)cc1)N1CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.66
▸ TPSAB1 Q15661 2/20 0.63
▸ HRH3 Q9Y5N1 4/20 0.61
▸ KMT2A Q03164 4/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TP53 P04637 1/20 0.59
▸ PKM P14618 1/20 0.58
▸ FAAH O00519 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ F2 P00734 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ CYP46A1 Q9Y6A2 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL5800630 0.83 KDM4E (0.69) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL4197501 0.83 KDM4E (0.69) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL5471150 0.82 MEN1 (0.75) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL14479131 0.82 KDM4E (0.73) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL6559744 0.81 KDM4E (0.68) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL5217325 0.81 KDM4E (0.68) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL14190802 0.81 KDM4E (0.76) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL27514596 0.80 KDM4E (0.66) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL7530265 0.80 KDM4E (0.74) KDM4ETPSAB1HRH3KMT2AMEN1
SCHEMBL7108356 0.80 KDM4E (0.74) KDM4ETPSAB1HRH3KMT2AMEN1

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-101955737-A Surface protective plate NITTO DENKO CORP 2011-01-26 — — CN disclosed
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