SCHEMBL29029650

SCHEMBL29029650

N=C(N)c1ccc(C2OB(O)C3=CC=CCC32)cc1OCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 20/20 0.59
F2 P00734 20/20 0.59
KLKB1 P03952 20/20 0.59
KLK14 Q9P0G3 20/20 0.59
KLK5 Q9Y337 20/20 0.59
ST14 Q9Y5Y6 20/20 0.59
F10 P00742 18/20 0.59
PLAU P00749 12/20 0.59
ELANE P08246 11/20 0.59
KLK1 P06870 10/20 0.59
KLK7 P49862 5/20 0.54

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
SCHEMBL29029647 0.81 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL29029619 0.81 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL28977229 0.81 KLK8 (0.58) KLK8F2KLKB1KLK14KLK5
SCHEMBL30359877 0.79 KLK8 (0.59) KLK8F2KLKB1KLK14KLK5
SCHEMBL28977227 0.79 KLK8 (0.59) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585880 0.74 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL26332072 0.72 KLK8 (0.81) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585884 0.70 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585889 0.70 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585886 0.70 KLK8 (1.00) 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 2 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 claimed
CN-116217603-A New compounds 国家医疗保健研究所 2023-06-06 CN disclosed