SCHEMBL6233814

SCHEMBL6233814

Cc1cnc(C(C)NCc2ccc(OCc3ccccc3)c(C)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
CD274 Q9NZQ7 4/20 0.43
HTR7 P34969 1/20 0.43
HTR6 P50406 1/20 0.43
SLC2A1 P11166 1/20 0.41
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
PPARA Q07869 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR1 O14842 1/20 0.38
BCHE P06276 1/20 0.37
CTSA P10619 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
SCHEMBL6233809 0.89 HTR7 (0.41) HTR7HTR6SLC2A1CCR5ALDH1A1
SCHEMBL6233811 0.89 HTR7 (0.41) HTR7HTR6SLC2A1CCR5ALDH1A1
SCHEMBL6233689 0.89 CD274 (0.45) CD274HTR7HTR6SLC2A1CCR5
SCHEMBL6231703 0.89 LMNA (0.53) HTR7HTR6ALDH1A1RAB9ALMNA
SCHEMBL6231706 0.89 LMNA (0.53) HTR7HTR6ALDH1A1RAB9ALMNA
SCHEMBL6232051 0.89 MEN1 (0.51) HTR7HTR6SLC2A1CCR5ALDH1A1
SCHEMBL6230153 0.89 MEN1 (0.51) HTR7HTR6SLC2A1CCR5ALDH1A1
SCHEMBL6235950 0.85 PDCD1 (0.49) CD274MEN1KMT2A
SCHEMBL6237847 0.84 BCHE (0.54) MEN1KMT2ABCHE
SCHEMBL6237852 0.84 BCHE (0.54) MEN1KMT2ABCHE

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed