SCHEMBL28504334

SCHEMBL28504334

N#Cc1ccc([C@@H]2OB(O)C3=C(C(F)(F)F)C=CCC32)cc1OCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 16/20 0.42
F2 P00734 16/20 0.42
KLKB1 P03952 16/20 0.42
KLK14 Q9P0G3 16/20 0.42
KLK5 Q9Y337 16/20 0.42
ST14 Q9Y5Y6 16/20 0.42
F10 P00742 15/20 0.42
PLAU P00749 11/20 0.42
KLK1 P06870 8/20 0.42
KLK7 P49862 4/20 0.42
ELANE P08246 9/20 0.39
CTSS P25774 1/20 0.34

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
SCHEMBL28502971 1.00 KLK8 (0.42) KLK8F2KLKB1KLK14KLK5
SCHEMBL29029619 0.86 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL28977229 0.86 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL29029647 0.86 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL29029654 0.73 KLK5 (0.54) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585893 0.73 KLK8 (0.75) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585894 0.73 KLK8 (0.75) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585892 0.73 KLK8 (0.75) KLK8F2KLKB1KLK14KLK5
SCHEMBL26332076 0.69 KLK8 (0.60) KLK8F2KLKB1KLK14KLK5
SCHEMBL30359877 0.68 KLK8 (0.59) KLK8F2KLKB1KLK14KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217603-A New compounds 国家医疗保健研究所 2023-06-06 CN disclosed
CN-112236433-B Novel compounds 国家医疗保健研究所 2023-04-04 CN disclosed
CN-112236433-A Novel compounds 国家医疗保健研究所 2021-01-15 CN disclosed