SCHEMBL28560712

SCHEMBL28560712

N#Cc1ccc(Cc2ccc(S)c(Cc3ccc(C#N)cc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CYP2A6 P11509 1/20 0.39
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CYP19A1 P11511 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDR P35968 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMO Q99835 1/20 0.33

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
SCHEMBL1344068 0.70 LOXL2 (0.65) LOXL2HRH3CYP2A6SAE1UBA2
SCHEMBL6949338 0.69 HRH3 (0.41) LOXL2HRH3CYP2A6SAE1UBA2
SCHEMBL7675792 0.68 CYP19A1 (0.44) LOXL2HRH3TLR8TLR7CYP2A6
SCHEMBL23716368 0.66 CYP2A6 (0.48) LOXL2HRH3CYP2A6SAE1UBA2
SCHEMBL17664102 0.66 MAOA (0.45) LOXL2HRH3CYP2A6SAE1UBA2
SCHEMBL10284905 0.65 GAA (0.55) LOXL2HRH3CYP2A6L3MBTL1
SCHEMBL28306246 0.65 NOS1 (0.45) LOXL2HRH3TLR8TLR7L3MBTL1
SCHEMBL28095397 0.65 L3MBTL1 (0.59) LOXL2HRH3CYP2A6CYP19A1L3MBTL1
SCHEMBL16848648 0.64 LOXL2 (0.58) LOXL2HRH3CYP2A6SAE1UBA2
SCHEMBL14155434 0.64 LOXL2 (0.58) LOXL2HRH3CYP2A6SAE1UBA2

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-109053805-B Preparation method of thiazine feed additive 广州市兴达动物药业有限公司 2020-12-18 CN claimed
CN-109053805-B Preparation method of thiazine feed additive 广州市兴达动物药业有限公司 2020-12-18 CN disclosed