SCHEMBL28554365

SCHEMBL28554365

Cc1c(C)c2ncccc2c2ncccc12.[Fe]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.75
HSP90AA1 P07900 2/20 0.75
NPC1 O15118 1/20 0.75
CCR1 P32246 3/20 0.46
CCR8 P51685 3/20 0.46
HTT P42858 3/20 0.46
PSMD14 O00487 1/20 0.46
COPS5 Q92905 1/20 0.46
SLC6A2 P23975 1/20 0.46
PARP1 P09874 3/20 0.43
SLC40A1 Q9NP59 1/20 0.42
CCR5 P51681 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL2681389 0.98 L3MBTL1 (0.78) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL15624642 0.91 L3MBTL1 (0.82) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL14224306 0.89 L3MBTL1 (0.78) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL28554364 0.89 L3MBTL1 (0.95) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297784 0.87 L3MBTL1 (0.68) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297755 0.86 HSP90AA1 (0.73) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL250356 0.86 L3MBTL1 (1.00) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL1102920 0.84 L3MBTL1 (0.71) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297746 0.84 L3MBTL1 (0.71) L3MBTL1HSP90AA1NPC1CCR1CCR8
Water SCHEMBL10480837 0.84 L3MBTL1 (0.95) L3MBTL1HSP90AA1NPC1CCR1CCR8

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-112638253-A Sensor and method for measuring pH 雅培糖尿病护理股份有限公司 2021-04-09 CN disclosed