SCHEMBL28028679

SCHEMBL28028679

[CH2]c1ccc(N2CCN(Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 2/20 0.48
HTR1A P08908 1/20 0.46
LMNA P02545 8/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.43
GSK3B P49841 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 1/20 0.39
MCHR1 Q99705 1/20 0.39
PKM P14618 1/20 0.39
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL103094 0.83 MAPT (0.59) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL103095 0.83 MAPT (0.59) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL10499661 0.75 LMNA (0.44) ALDH1A1HTR1ALMNAHTTGSK3B
SCHEMBL10494883 0.73 LMNA (0.42) ALDH1A1HTR1ALMNAHTTGSK3B
SCHEMBL10494863 0.72 LMNA (0.41) ALDH1A1HTR1ALMNAHTTGSK3B
SCHEMBL6969209 0.71 HTR1A (0.61) ALDH1A1KDM4EHTR1ALMNAHTT
SCHEMBL6969344 0.71 HTR1A (0.61) ALDH1A1KDM4EHTR1ALMNAHTT
SCHEMBL10575662 0.71 LMNA (0.44) ALDH1A1HTR1ALMNAHTTGSK3B
SCHEMBL25154269 0.71 DRD4 (0.53) GSK3BMAPT
SCHEMBL10494852 0.70 MAPK1 (0.41) ALDH1A1LMNAHTTGSK3BMEN1

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-102438991-B Carbinol compounds having a heterocyclic linker KOWA CO.,LTD. (JP) 2015-08-26 CN disclosed