SCHEMBL29586307

SCHEMBL29586307

O=C1CCC(Nc2cnccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
PIM1 P11309 2/20 0.38
HCAR3 P49019 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ROCK2 O75116 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL28283911 1.00 SYK (0.39) SYKPIM1HCAR3ALDH1A1KDM4E
SCHEMBL2369918 0.85 HCAR3 (0.42) SYKHCAR3ALDH1A1KDM4EL3MBTL1
SCHEMBL22877113 0.82 KDM4E (0.50) HCAR3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL5847287 0.82 KDM4E (0.46) HCAR3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL30182919 0.80 KDM4E (0.53) HCAR3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL9901706 0.80 KDM4E (0.53) HCAR3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL30183229 0.80 KDM4E (0.53) HCAR3ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13326729 0.77 HRH3 (0.51) ALDH1A1ROCK2KMT2AMEN1DYRK1A
SCHEMBL31057008 0.77 SYK (0.47) SYKPIM1HCAR3ROCK2CDK5
SCHEMBL26814095 0.77 SYK (0.47) SYKPIM1HCAR3ROCK2CDK5

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-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed