SCHEMBL28291402

SCHEMBL28291402

NC1CCN(C(=O)c2c[c]ccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
AURKB Q96GD4 1/20 0.44
L3MBTL3 Q96JM7 6/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
EPHX1 P07099 1/20 0.43
KDM1A O60341 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 2/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 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
SCHEMBL1920680 0.85 ALDH1A1 (0.49) L3MBTL1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL2321965 0.85 ACHE (0.67) ACHEEPHX1SMN1; SMN2HPGDKMT2A
SCHEMBL7428185 0.84 MAPT (0.56) ACHEL3MBTL3L3MBTL1EPHX1SMN1; SMN2
SCHEMBL1298628 0.82 HPGD (0.59) L3MBTL3L3MBTL1SMN1; SMN2HPGDMEN1
SCHEMBL1921183 0.82 HPGD (0.55) SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL27991527 0.81 L3MBTL3 (0.66) ACHEL3MBTL3L3MBTL1EPHX1PARP1
SCHEMBL1298971 0.81 HPGD (0.62) L3MBTL1HPGDMEN1KMT2A
SCHEMBL27842179 0.81 L3MBTL3 (0.47) ACHEL3MBTL3L3MBTL1EPHX1KDM1A
SCHEMBL409005 0.80 ACHE (0.69) ACHEL3MBTL3L3MBTL1EPHX1SMN1; SMN2
Hydrochloric Acid SCHEMBL4618202 0.79 ACHE (0.67) ACHEL3MBTL3L3MBTL1EPHX1SMN1; SMN2

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-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed