SCHEMBL28765859

SCHEMBL28765859

O=CC1Oc2ccc(-c3ccncc3)cc2N1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL27668652 0.93 MAPK1 (0.49) MAPK1RECQLMEN1HTTKMT2A
SCHEMBL27687686 0.91 AVPR2 (0.50) MAPK1RECQLMEN1HTTKMT2A
SCHEMBL27687596 0.83 LMNA (0.45) MAPK1ALDH1A1POLBKDM4EALOX15
SCHEMBL27668682 0.75 TSHR (0.46) MEN1HTTKMT2AALDH1A1POLB
SCHEMBL5431239 0.73 HTT (0.51) MEN1HTTKMT2AALDH1A1POLB
SCHEMBL27668669 0.70 ALDH1A1 (0.49) MEN1HTTKMT2AALDH1A1POLB
SCHEMBL18292700 0.70 POLB (0.78) MAPK1MEN1HTTKMT2AALDH1A1
SCHEMBL29538698 0.66 ALDH1A1 (0.84) MEN1HTTKMT2AALDH1A1POLB
SCHEMBL29598108 0.65 POLB (0.70) MEN1KMT2AALDH1A1POLB
SCHEMBL27197571 0.65 POLB (0.70) MEN1KMT2AALDH1A1POLB

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-1922141-A Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO (JP) 2007-02-28 — — CN disclosed
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