SCHEMBL29655722

SCHEMBL29655722

N=C(N)NCCC[C@](N)(C(=O)O)C(=O)c1sccc1NS(=O)(=O)c1cccc2nsnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NRP1 O14786 1/20 0.52
NPR1 P16066 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
CCKBR P32239 4/20 0.45
CCKAR P32238 4/20 0.45
CTDSP1 Q9GZU7 3/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
METAP2 P50579 1/20 0.43
GAA P10253 1/20 0.42
CASP6 P55212 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41

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 SCHEMBL29655756 0.97 NRP1 (0.50) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL4569813 0.81 NRP1 (0.76) NRP1NPR1CCKBRCCKAR
Trifluoroacetic Acid SCHEMBL30679285 0.81 NRP1 (0.70) NRP1NPR1CCKBRCCKAR
SCHEMBL4572338 0.78 NRP1 (0.65) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL29066366 0.76 NRP1 (0.60) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL4572336 0.71 NRP1 (0.72) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL4569863 0.71 NRP1 (0.58) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL13552626 0.70 L3MBTL1 (0.55) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL4572299 0.70 NRP1 (0.77) NRP1NPR1L3MBTL1ATMCCKBR
SCHEMBL4569831 0.69 NRP1 (0.77) NRP1NPR1

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 4 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
WO-2022127654-A1 ANTI-FIBROSIS PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF 四川大学华西第二医院 2022-06-23 WO disclosed