SCHEMBL29044100

SCHEMBL29044100

c1cnnnc1.c1csc(-c2cccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2B6 P20813 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
NISCH Q9Y2I1 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
Biphenyl SCHEMBL28281483 0.82 CYP3A4 (0.51) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL3545 0.81 L3MBTL1 (0.57) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL16291133 0.81 L3MBTL1 (0.57) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL30570956 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
Bromide SCHEMBL30467088 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
Fluoride SCHEMBL491501 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL29776515 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
Ammonia Solution, Strong SCHEMBL34467257 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
Hydrogen Sulfide SCHEMBL22588115 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL30697256 0.78 L3MBTL1 (0.55) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116297901-A Application of triazine-bithiophene covalent organic framework in enrichment and detection of nitrofuran metabolites in meat products 华南农业大学 2023-06-23 CN claimed
CN-116297901-A Application of triazine-bithiophene covalent organic framework in enrichment and detection of nitrofuran metabolites in meat products 华南农业大学 2023-06-23 CN disclosed
CN-116297901-A Application of triazine-bithiophene covalent organic framework in enrichment and detection of nitrofuran metabolites in meat products 华南农业大学 2023-06-23 CN disclosed
CN-116297901-A Application of triazine-bithiophene covalent organic framework in enrichment and detection of nitrofuran metabolites in meat products 华南农业大学 2023-06-23 CN disclosed