SCHEMBL10643650

SCHEMBL10643650

CCN1CCN(C(=O)NC(C(N)=O)c2ccc(OS)cc2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC22A11 Q9NSA0 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GPR88 Q9GZN0 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10872366 0.90 KMT2A (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731770 0.87 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL27461765 0.87 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10372875 0.86 GPR88 (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10762794 0.83 POLB (0.33) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10873072 0.83 ALOX5 (0.44) SMN1; SMN2
SCHEMBL10770220 0.82 MAPT (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10872357 0.80 KMT2A (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11423312 0.79 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11423317 0.79 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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-0253337-A2 Tricyclic cepham compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-01-20 — — EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 — — EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
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