SCHEMBL28849876

SCHEMBL28849876

CCOC(=O)c1ccc2nc(N3CCC(NC(=O)OC(C)(C)C)CC3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.69
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 8/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
GAA P10253 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TMPRSS15 P98073 3/20 0.51
MAPT P10636 5/20 0.50
TP53 P04637 3/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL2823184 0.91 PCSK9 (0.57) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL333933 0.83 NPC1 (0.59) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL30101633 0.82 PCSK9 (0.75) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL29123611 0.82 PCSK9 (0.75) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL1981110 0.82 KDM4E (0.65) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL28849846 0.82 ALDH1A1 (0.63) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30101767 0.82 PCSK9 (0.73) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL28849847 0.82 PCSK9 (0.75) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30101685 0.82 PCSK9 (0.75) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL29123598 0.82 PCSK9 (0.73) PCSK9ALDH1A1KDM4ECYP2C9CYP2C19

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