SCHEMBL29066366

SCHEMBL29066366

N=C(N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 6/20 0.60
NPR1 P16066 1/20 0.60
CCKAR P32238 12/20 0.39
CCKBR P32239 11/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL30679285 0.90 NRP1 (0.70) NRP1NPR1CCKARCCKBR
SCHEMBL4569813 0.88 NRP1 (0.76) NRP1NPR1CCKARCCKBR
SCHEMBL4572338 0.86 NRP1 (0.65) NRP1NPR1CCKARCCKBRATM
SCHEMBL4572299 0.78 NRP1 (0.77) NRP1NPR1CCKARCCKBRATM
Trifluoroacetic Acid SCHEMBL29655756 0.78 NRP1 (0.50) NRP1NPR1CCKARCCKBRLMNA
SCHEMBL4569831 0.77 NRP1 (0.77) NRP1NPR1
SCHEMBL4572336 0.76 NRP1 (0.72) NRP1NPR1CCKARCCKBRATM
SCHEMBL4569863 0.76 NRP1 (0.58) NRP1NPR1CCKARCCKBRATM
SCHEMBL29655722 0.76 NRP1 (0.52) NRP1NPR1CCKARCCKBRLMNA
SCHEMBL4572326 0.75 NRP1 (0.59) NRP1NPR1CCKARCCKBRSMN1; SMN2

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-117414430-A Application of EPCR pathway activator in preparation of anti-fibrosis agent 四川大学华西第二医院 2024-01-19 CN disclosed
CN-113952456-B Application of EPCR pathway activator in preparation of anti-fibrosis agent 四川大学华西第二医院 2023-12-15 CN disclosed
CN-114452389-B Anti-fibrosis pharmaceutical composition and application thereof 四川大学华西第二医院 2023-08-25 CN disclosed