SCHEMBL28864154

SCHEMBL28864154

BC1c2ccccc2Nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
HTR5A P47898 6/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 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
SCHEMBL6333376 0.78 GAA (0.43) GAAMAPTHTR5ATSHRBCHE
SCHEMBL20087021 0.74 ALDH1A1 (0.41) GAAMAPTHTR5ATSHRBCHE
SCHEMBL31474673 0.74 HTR5A (0.48) GAAMAPTHTR5ATSHRBCHE
SCHEMBL20385185 0.74 HTR5A (0.48) GAAMAPTHTR5ATSHRBCHE
SCHEMBL31589753 0.74 ALDH1A1 (0.41) GAAMAPTHTR5ATSHRBCHE
SCHEMBL28412785 0.74 MAOA (0.46) GAAMAPTHTR5ATSHRBCHE
SCHEMBL13366003 0.74 HTR5A (0.48) GAAMAPTHTR5ATSHRBCHE
SCHEMBL11788559 0.72 TSHR (0.42) GAAMAPTHTR5ATSHRBCHE
SCHEMBL14281470 0.70 GAA (0.42) GAAMAPTHTR5ATSHRBCHE
SCHEMBL11047272 0.70 HTR5A (0.41) GAAMAPTHTR5ATSHRMEN1

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-115043859-A Organic electroluminescent material and device 环球展览公司 2022-09-13 CN disclosed