SCHEMBL8945125

SCHEMBL8945125

CCc1ccccc1C1CCCCC1(CC)Cc1ccc(N)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
HTR6 P50406 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC4 P56524 1/20 0.33
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC10A2 Q12908 1/20 0.31
PPID Q08752 3/20 0.30
PPIB P23284 2/20 0.30
PPIG Q13427 2/20 0.30

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
SCHEMBL8945269 0.91 HTR6 (0.32) GSK3BHTR6
SCHEMBL8945087 0.91 SLC10A2 (0.35) GSK3BHTR6MAPK1KDM4EMEN1
SCHEMBL8945227 0.87 HTR6 (0.34) GSK3BHTR6ALDH1A1
SCHEMBL8944930 0.86 KDM1A (0.44) GSK3BHTR6KDM4EALDH1A1
SCHEMBL8945429 0.83 SLC10A2 (0.32) HTR6SLC10A2
SCHEMBL8945071 0.78 SLC10A2 (0.33) HTR6ALDH1A1SLC10A2
SCHEMBL8945308 0.77 KDM1A (0.40) HTR6KDM4ESLC10A2
SCHEMBL8945096 0.76 HTR6 (0.33) HTR6MAPK1ALDH1A1
SCHEMBL8945039 0.76 SLC10A2 (0.35) GSK3BHTR6SLC10A2
SCHEMBL8945145 0.75 SLC10A2 (0.33) GSK3BHTR6SLC10A2

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
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed