SCHEMBL28291394

SCHEMBL28291394

NC1CCN(C(=O)c2[c]cccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
EPHX1 P07099 1/20 0.41
ACHE P22303 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
L3MBTL3 Q96JM7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53BP1 Q12888 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
AURKB Q96GD4 1/20 0.38
RAB9A P51151 1/20 0.37
KDM1A O60341 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 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
SCHEMBL1921739 0.85 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4352484 0.84 ACHE (0.59) ACHESMN1; SMN2ALDH1A1RAB9AHPGD
SCHEMBL969710 0.82 HPGD (0.52) ALDH1A1MEN1HPGDTSHRKMT2A
SCHEMBL1115239 0.82 HPGD (0.47) SMN1; SMN2ALDH1A1MEN1HPGDTSHR
SCHEMBL16825019 0.81 L3MBTL3 (0.59) EPHX1ACHEPARP1L3MBTL3L3MBTL1
SCHEMBL1642860 0.80 HPGD (0.55) L3MBTL1SMN1; SMN2ALDH1A1MEN1HPGD
SCHEMBL4458413 0.80 PDK2 (0.43) CHRM2CHRM1EPHX1ACHERAB9A
SCHEMBL2887644 0.80 L3MBTL3 (0.62) L3MBTL3L3MBTL1TP53BP1ALDH1A1MEN1
SCHEMBL28799044 0.78 KDM1A (0.42) ALDH1A1KDM1AMEN1HPGDKMT2A
SCHEMBL1566654 0.78 SIGMAR1 (0.57) PARP1HPGDKMT2A

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