SCHEMBL30024414

SCHEMBL30024414

CCN1CCNc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ POLB P06746 3/20 0.46
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ACHE P22303 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ OPRD1 P41143 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL2061643 0.79 TNF (0.50) KDM4EPOLBHTTALDH1A1MAPT
SCHEMBL12160564 0.78 KDM4E (0.44) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL31033159 0.78 KDM4E (0.48) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL4793671 0.76 BRD4 (0.41) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL24026589 0.76 KDM4E (0.41) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL30058552 0.76 POLB (0.49) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL23553038 0.76 POLB (0.49) KDM4EPOLBALDH1A1MAPTMEN1
SCHEMBL2060642 0.75 CYP1A2 (0.41) HTTALDH1A1MAPTTDP1ACHE
SCHEMBL14437898 0.74 PARP1 (0.42) KDM4EPOLBALDH1A1MAPTMEN1
Lithium Ion SCHEMBL23534386 0.74 TNF (0.36) KDM4EPOLBHTTALDH1A1MAPT

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-4076459-A1 PRMT5 INHIBITORS Merck Sharp & Dohme LLC (US) 2022-10-26 — — EP claimed
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