SCHEMBL30101685

SCHEMBL30101685

CCOC(=O)c1ccc2nc(N3CCC(NC(=O)c4c(F)cccc4F)CC3)sc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.75
TMPRSS15 P98073 2/20 0.57
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 6/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 2/20 0.48
ALPL P05186 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL28849847 1.00 PCSK9 (0.75) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL29123598 0.90 PCSK9 (0.73) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL30101767 0.90 PCSK9 (0.73) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL30101731 0.86 PCSK9 (1.00) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL29519307 0.86 PCSK9 (0.65) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL28590361 0.86 PCSK9 (0.65) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL29123519 0.84 PCSK9 (0.70) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL30101633 0.84 PCSK9 (0.75) PCSK9TMPRSS15ALDH1A1KDM4EHPGD
SCHEMBL29123613 0.83 KDM4E (0.62) PCSK9ALDH1A1KDM4EHPGDCYP2D6
SCHEMBL30101694 0.83 KDM4E (0.62) PCSK9ALDH1A1KDM4EHPGDCYP2D6

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

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