SCHEMBL28282298

SCHEMBL28282298

O=C1CCN(c2cnccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
SORD Q00796 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A7 Q99884 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HTR1A P08908 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL28282315 0.90 KDM4E (0.41) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL7490482 0.89 KDM4E (0.49) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL11552686 0.76 PRKCH (0.44) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL21047720 0.75 GRIN2D (0.65) KDM4EALDH1A1
SCHEMBL16453889 0.75 GRIN2D (0.69)
SCHEMBL1713664 0.74 KDM4E (0.49) KDM4ESORDLMNAL3MBTL1SLC6A7
SCHEMBL18228513 0.72 SORD (0.51) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL31014265 0.72 SORD (0.51) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL2320496 0.72 SORD (0.51) KDM4ESORDALDH1A1LMNAL3MBTL1
SCHEMBL468382 0.71 SORD (0.50) KDM4ESORDALDH1A1LMNAL3MBTL1

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-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 CN disclosed