SCHEMBL27687586

SCHEMBL27687586

O=CC1N(CC(=O)N2CCc3ccccc3C2)c2cc(-c3ccccc3)cc3c2N1CCC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL27668669 0.85 ALDH1A1 (0.49) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL27668682 0.74 TSHR (0.46) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL5419233 0.69 MEN1 (0.45) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL27687596 0.68 LMNA (0.45) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL27849798 0.68 MEN1 (0.48) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL15001867 0.62 SMN1; SMN2 (0.53) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL22784252 0.62 NOTUM (0.64) KDM4EPOLBGAAALDH1A1TSHR
SCHEMBL4416703 0.62 HDAC3 (0.63) KDM4EGAAALDH1A1TSHRMEN1
SCHEMBL4416700 0.62 MEN1 (0.58) KDM4EGAAALDH1A1TSHRMEN1
SCHEMBL24925843 0.61 RIPK1 (0.65) KDM4EALDH1A1TSHRMEN1KMT2A

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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