SCHEMBL21822217

SCHEMBL21822217

CCOC(=O)c1cc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2n1Cc1cc(Oc2ncccn2)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.41
▸ NOD2 Q9HC29 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ F2 P00734 2/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PRSS1 P07477 1/20 0.33

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
SCHEMBL25015779 0.94 F10 (0.44) F10NOD2NOD1KMT2AMEN1
SCHEMBL25017612 0.90 F10 (0.41) F10NOD2NOD1KMT2AMEN1
SCHEMBL21822364 0.86 F10 (0.55) F10NOD2NOD1KMT2AMEN1
SCHEMBL25015750 0.84 CCR2 (0.36) F10KMT2AF2PRSS1
SCHEMBL25016848 0.83 F10 (0.40) F10NOD2NOD1KMT2AMAPT
SCHEMBL25015721 0.83 F10 (0.39) F10NOD2NOD1KMT2AF2
SCHEMBL25015942 0.82 RHEB (0.33) F10KMT2AF2PRSS1
SCHEMBL25017976 0.82 F10 (0.45) F10NOD2NOD1KMT2AMEN1
SCHEMBL25017497 0.82 F10 (0.45) F10NOD2NOD1KMT2AMEN1
SCHEMBL30180687 0.82 F10 (0.45) F10NOD2NOD1KMT2AMEN1

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
EP-3860636-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF Disc Medicine, Inc. (US) 2021-08-11 — — EP disclosed
CN-112996529-A Matriptase 2 inhibitor and application thereof 迪斯克医药公司 2021-06-18 — — CN disclosed
WO-2020072580-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. (US) 2020-04-09 — — WO disclosed
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