SCHEMBL28292871

SCHEMBL28292871

CNC1CCN(C(=O)c2cc[c]cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 8/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PIK3R1 P27986 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MBTD1 Q05BQ5 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TP53BP1 Q12888 2/20 0.44
L3MBTL4 Q8NA19 2/20 0.44
EPHX2 P34913 2/20 0.43
KDM1A O60341 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL10293612 0.84 EPHX1 (0.71) EPHX1L3MBTL3ACHEKMT2AMEN1
SCHEMBL22542170 0.83 KMT2A (0.65) EPHX1L3MBTL3KMT2AMEN1ALDH1A1
SCHEMBL16003001 0.83 MGLL (0.55) EPHX1L3MBTL3ACHEKMT2AMEN1
SCHEMBL13866413 0.83 EPHX1 (0.55) EPHX1L3MBTL3ACHEKMT2APIK3R1
SCHEMBL4352489 0.82 ACHE (0.70) L3MBTL3ACHEKMT2AMEN1ALDH1A1
SCHEMBL16003020 0.81 L3MBTL3 (0.51) EPHX1L3MBTL3ACHEKMT2AMEN1
SCHEMBL16003042 0.81 EPHX2 (0.62) EPHX1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL747025 0.80 GRM5 (0.56) EPHX1L3MBTL3ACHEALDH1A1MBTD1
SCHEMBL1921224 0.79 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL20883799 0.79 ALDH1A1 (0.63) EPHX1L3MBTL3KMT2AMEN1ALDH1A1

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