SCHEMBL5696780

SCHEMBL5696780

O=C1c2ccccc2C(=O)N1C(O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL7551296 0.85 LMNA (0.50) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL4197298 0.81 LMNA (0.56) LMNAALDH1A1GAAPOLBTP53
SCHEMBL27338868 0.81 LMNA (0.52) LMNAALDH1A1GAAPOLBKDM4E
Ammonia Solution, Strong SCHEMBL11408777 0.79 LMNA (0.55) LMNAALDH1A1GAAPOLBTP53
SCHEMBL5524122 0.78 LMNA (0.53) LMNAALDH1A1GAAPOLBTP53
SCHEMBL27524490 0.78 LMNA (0.49) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL11408791 0.76 ALDH1A1 (0.47) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL9064462 0.76 TDP1 (0.49) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL9348267 0.76 TDP1 (0.49) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL166122 0.75 TDP1 (0.57) LMNAALDH1A1GAAPOLBTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656201-A1 ARSENIC-ADSORBING ION EXCHANGER Lanxess Deutschland GmbH (DE) 2006-05-17 — — EP disclosed
WO-2004110623-A1 ARSENIC-ADSORBING ION EXCHANGER LANXESS DEUTSCHLAND GMBH (DE) 2004-12-23 — — WO disclosed
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