SCHEMBL10872357

SCHEMBL10872357

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE2A O00408 1/20 0.38
▸ MAPT P10636 2/20 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
▸ IDH1 O75874 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ ATM Q13315 1/20 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
SCHEMBL10872366 0.90 KMT2A (0.41) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL3731768 0.87 MAPT (0.43) KMT2AMEN1GAAMAPTPDE3A
SCHEMBL10643642 0.87 MAPT (0.36) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL9814590 0.86 MEN1 (0.38) KMT2AMEN1MAPTPDE3ASLC22A6
SCHEMBL10404206 0.82 MAPT (0.36) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL10547877 0.82 KMT2A (0.40) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL10643650 0.80 MAPT (0.37) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL11423317 0.79 MAPT (0.39) KMT2AMEN1GAAMAPTPDE3A
SCHEMBL11423312 0.79 MAPT (0.39) KMT2AMEN1GAAMAPTPDE3A
SCHEMBL10490784 0.78 MAPT (0.37) KMT2AMEN1KDM4EGAAMAPK1

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
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 — — EP disclosed
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