SCHEMBL30101616

SCHEMBL30101616

CCOC(=O)c1ccc2nc(N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.62
KDM4E B2RXH2 2/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 3/20 0.56
MGLL Q99685 1/20 0.56
MAPT P10636 3/20 0.52
HCRTR1 O43613 1/20 0.51
HCRTR2 O43614 1/20 0.51
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL29123656 1.00 PCSK9 (0.62) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL30101601 0.87 PCSK9 (0.61) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL29123511 0.87 PCSK9 (0.61) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL30101758 0.86 PCSK9 (0.76) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL29123691 0.86 PCSK9 (0.76) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL29123682 0.85 PCSK9 (0.64) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL30101689 0.85 PCSK9 (0.64) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL29123725 0.84 PCSK9 (0.66) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL30101747 0.84 PCSK9 (0.66) PCSK9KDM4EGAAMEN1KMT2A
SCHEMBL26962590 0.80 PCSK9 (0.66) PCSK9KDM4EGAAMEN1KMT2A

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-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed
CN-115109011-A Benzothiazole compound, preparation method and application 河北师范大学 2022-09-27 CN disclosed