SCHEMBL28588313

SCHEMBL28588313

CCOC(=O)c1cc2ccc(C(N)=NO)cc2n1Cc1cc(Oc2ncccn2)cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.45
▸ NOD2 Q9HC29 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 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
SCHEMBL25017976 1.00 F10 (0.45) F10NOD2NOD1KMT2AMEN1
SCHEMBL30180687 1.00 F10 (0.45) F10NOD2NOD1KMT2AMEN1
SCHEMBL25017497 1.00 F10 (0.45) F10NOD2NOD1KMT2AMEN1
SCHEMBL30180564 0.91 F10 (0.43) F10NOD2NOD1KMT2AMEN1
SCHEMBL25016443 0.91 F10 (0.43) F10NOD2NOD1KMT2AMEN1
SCHEMBL28578329 0.91 F10 (0.43) F10NOD2NOD1KMT2AMEN1
SCHEMBL21822364 0.91 F10 (0.55) F10NOD2NOD1KMT2AMEN1
SCHEMBL25015955 0.90 F10 (0.48) F10NOD2NOD1KMT2AMEN1
SCHEMBL21822191 0.90 CCR2 (0.37) —
SCHEMBL21822188 0.90 CCR2 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
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