SCHEMBL10643642

SCHEMBL10643642

CCN1CCN(C(=O)NC(C([NH])=O)c2ccc(OS(=O)(=O)O)cc2)C(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ SLC22A8 Q8TCC7 1/20 0.36
▸ SLC22A11 Q9NSA0 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PTPRB P23467 1/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL10872357 0.87 KMT2A (0.40) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8113253 0.84 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731768 0.84 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10545939 0.84 MAPT (0.32) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9814590 0.82 MEN1 (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10873068 0.81 MMP2 (0.42) —
SCHEMBL11292237 0.81 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10404206 0.79 MAPT (0.36) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10872366 0.78 KMT2A (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9770397 0.77 SMN1; SMN2 (0.35) 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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