SCHEMBL28355309

SCHEMBL28355309

Cc1ccccc1-c1nccs1.c1cc2ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
PLA2G7 Q13093 2/20 0.48
ADRB2 P07550 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP17A1 P05093 1/20 0.43
ADRA1A P35348 2/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A9 P48067 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
CTSA P10619 1/20 0.40
ENPP3 O14638 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RAB9A P51151 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL1047236 0.94 PDPK1 (0.53) PDPK1PLA2G7ADRB2LOXL2CYP2A6
SCHEMBL28538440 0.83 PDPK1 (0.56) PDPK1PLA2G7ADRB2LOXL2CYP2A6
SCHEMBL9089977 0.81 PDPK1 (0.52) PDPK1PLA2G7ADRB2LOXL2CYP2A6
SCHEMBL5692672 0.80 PDPK1 (0.64) PDPK1ADRB2LOXL2CYP2A6ADRA1A
SCHEMBL11211014 0.80 PDPK1 (0.46) PDPK1PLA2G7ADRB2LOXL2CYP2A6
SCHEMBL1951149 0.78 PDPK1 (0.61) PDPK1ADRB2LOXL2CYP2A6ADRA1A
SCHEMBL996777 0.76 PDPK1 (0.53) PDPK1ADRB2LOXL2CYP2A6ADRA1A
SCHEMBL2175845 0.76 PDPK1 (0.70) PDPK1ADRB2LOXL2CYP2A6ADRA1A
SCHEMBL17030749 0.75 PDPK1 (0.48) PDPK1PLA2G7ADRB2LOXL2CYP2A6
SCHEMBL5147639 0.75 PDPK1 (0.91) PDPK1ADRB2LOXL2CYP2A6SLC6A9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627739-B Method for synthesizing thiazole heterocyclic compound through photocatalysis 桂林医学院 2023-02-07 CN disclosed
CN-110627739-A Method for synthesizing thiazole heterocyclic compound through photocatalysis 桂林医学院 2019-12-31 CN disclosed