SCHEMBL28577504

SCHEMBL28577504

N#Cc1ccc(COC(N)=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
AOC3 Q16853 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
MBOAT4 Q96T53 1/20 0.38
PARP2 Q9UGN5 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP1 P09874 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8342313 0.84 ALDH1A1 (0.42) MMP2TDP1MBOAT4FFAR1ALDH1A1
SCHEMBL19582086 0.80 MBOAT4 (0.37) MMP2TDP1MBOAT4ALDH1A1MAPT
SCHEMBL19582083 0.80 MBOAT4 (0.37) MMP2TDP1MBOAT4ALDH1A1MAPT
SCHEMBL29022647 0.80 GABRA1 (0.41) FFAR1
SCHEMBL2308798 0.79 MBOAT4 (0.40) MMP2MBOAT4PARP2PARP15PARP10
SCHEMBL28846885 0.79 LMNA (0.40) MMP2AOC3TDP1MBOAT4PARP2
SCHEMBL13141087 0.78 MBOAT4 (0.42) MBOAT4ALDH1A1
SCHEMBL22557366 0.77 ADRA2A (0.38) PARP10
SCHEMBL20582285 0.76 FFAR1 (0.50) MMP2MBOAT4PARP2PARP1FFAR1
SCHEMBL17674283 0.76 KDM4E (0.42) MBOAT4ALDH1A1MAPT

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-117964684-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-117964683-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2024-05-03 CN disclosed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN disclosed