SCHEMBL28033040

SCHEMBL28033040

Clc1ccc(-c2nccs2)cc1.O=c1c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.46
TLR7 Q9NYK1 1/20 0.43
ADRB2 P07550 1/20 0.43
CYP2A6 P11509 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HSD11B1 P28845 1/20 0.42
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
EP300 Q09472 2/20 0.40

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
2-Phenylthiazole SCHEMBL28033487 0.87 PDPK1 (0.75) PDPK1LOXL2ADRB2CYP2A6HDAC3
SCHEMBL468046 0.85 PDPK1 (0.63) PDPK1LOXL2ADRB2CYP2A6HSD11B1
SCHEMBL28033488 0.84 PDPK1 (0.56) PDPK1LOXL2TLR7ADRB2CYP2A6
Acetic Acid SCHEMBL9382210 0.78 PDPK1 (0.55) PDPK1LOXL2ADRB2HDAC3HDAC4
SCHEMBL16159714 0.76 PDPK1 (0.68) PDPK1LOXL2ADRB2CYP2A6HDAC3
SCHEMBL16159836 0.76 PDPK1 (0.68) PDPK1LOXL2ADRB2CYP2A6HDAC3
SCHEMBL28487238 0.76 PDPK1 (0.52) PDPK1LOXL2ADRB2CYP2A6HSD11B1
SCHEMBL722198 0.75 PDPK1 (0.77) PDPK1LOXL2ADRB2CYP2A6HDAC3
SCHEMBL16159074 0.75 PDPK1 (0.66) PDPK1LOXL2ADRB2CYP2A6HDAC3
SCHEMBL16159066 0.75 PDPK1 (0.66) PDPK1LOXL2ADRB2CYP2A6HDAC3

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-104892640-A 2-phenyl-6-benzoyl-thiazolo[3,2-b][1,2,4]-triazole derivative and application thereof UNIV SHIJIAZHUANG 2015-09-09 CN claimed
CN-104892640-A 2-phenyl-6-benzoyl-thiazolo[3,2-b][1,2,4]-triazole derivative and application thereof UNIV SHIJIAZHUANG 2015-09-09 CN disclosed