SCHEMBL29044241

SCHEMBL29044241

O=C1CC(Cl)C(=O)C2=C1Sc1ccccc1N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.47
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PABPC1 P11940 1/20 0.47
NPSR1 Q6W5P4 2/20 0.45
S100A4 P26447 1/20 0.41
NOX1 Q9Y5S8 5/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAOA P21397 1/20 0.41
CNR1 P21554 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL6545369 0.70 MAPT (0.59) GAAMAPTMEN1KMT2APABPC1
SCHEMBL12462878 0.67 L3MBTL1 (0.66) GAAMAPTMEN1KMT2APABPC1
SCHEMBL12463182 0.67 L3MBTL1 (0.66) GAAMAPTMEN1KMT2APABPC1
SCHEMBL6545194 0.64 MAPT (1.00) GAAMAPTMEN1KMT2APABPC1
SCHEMBL11818621 0.64 GAA (0.46) GAAMAPTMEN1KMT2APABPC1
SCHEMBL2279059 0.64 GAA (0.51) GAAMAPTMEN1KMT2APABPC1
SCHEMBL10353037 0.63 BRD4 (0.66) GAAMAPTMEN1KMT2ANOX1
SCHEMBL28060192 0.62 MEN1 (1.00) GAAMAPTMEN1KMT2APABPC1
SCHEMBL11807577 0.62 L3MBTL1 (0.53) GAAMAPTMEN1KMT2APABPC1
Phenothiazine SCHEMBL9114 0.61 NOX1 (1.00) GAAMAPTMEN1KMT2ANPSR1

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-116519941-A Screening kit for acute fatty liver diseases in gestation period 郑州安图生物工程股份有限公司 2023-08-01 CN disclosed