SCHEMBL28588309

SCHEMBL28588309

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2c(C(N)=O)c3ccc(C(N)=NO)cc3n2Cc2cccc3ccccc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ USP14 P54578 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ ACSS2 Q9NR19 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ TGM2 P21980 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CFD P00746 1/20 0.33
▸ DPP7 Q9UHL4 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
SCHEMBL28588310 1.00 MAPK8 (0.35) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL30180399 1.00 MAPK8 (0.35) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL31689666 0.95 MAPK8 (0.36) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL28585707 0.92 EPHX1 (0.36) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL28585708 0.92 EPHX1 (0.36) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL30180486 0.92 EPHX1 (0.36) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL30180583 0.92 F10 (0.41) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL28916256 0.92 F10 (0.41) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL28916257 0.92 F10 (0.41) MAPK8EPHX1PARP1USP14DPP4
SCHEMBL28580848 0.90 MAPK8 (0.35) MAPK8EPHX1PARP1USP14DPP4

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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