SCHEMBL11065558

SCHEMBL11065558

O=C(O)C(NC(=O)N1CCN(N=Cc2ccoc2)C1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ KMT2A Q03164 5/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NAALAD2 Q9Y3Q0 1/20 0.32
▸ RBP4 P02753 2/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 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
SCHEMBL10679997 0.88 MEN1 (0.38) POLBTDP1KMT2AGAAATM
SCHEMBL10679992 0.88 MEN1 (0.38) POLBTDP1KMT2AGAAATM
SCHEMBL11064513 0.88 POLB (0.35) POLBTDP1KMT2AGAA
SCHEMBL11069132 0.86 POLB (0.33) POLBTDP1KMT2AGAA
SCHEMBL10676899 0.84 MEN1 (0.37) POLBTDP1KMT2AGAAATM
SCHEMBL10676907 0.84 MEN1 (0.37) POLBTDP1KMT2AGAAATM
SCHEMBL11455918 0.83 MAPT (0.44) POLBTDP1KMT2AGAAATM
SCHEMBL10663407 0.83 MAPT (0.44) POLBTDP1KMT2AGAAATM
SCHEMBL10990529 0.83 KDM4E (0.42) POLBTDP1KMT2AGAAATM
SCHEMBL10683037 0.83 MAPT (0.44) POLBTDP1KMT2AGAAATM

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
US-4438114-A β-Lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 — — US disclosed
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