SCHEMBL8825117

SCHEMBL8825117

O=C(O)C(Cc1ccc2ccccc2c1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.79
▸ MEN1 O00255 3/20 0.79
▸ ALDH1A1 P00352 4/20 0.73
▸ GAA P10253 1/20 0.73
▸ POLB P06746 4/20 0.70
▸ AADAT Q8N5Z0 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TSHR P16473 1/20 0.56
▸ CYP2D6 P10635 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ SDCBP O00560 1/20 0.54

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
SCHEMBL30216480 0.85 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL392680 0.85 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL478614 0.85 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL4861809 0.85 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1GAAPOLB
Hydrochloric Acid SCHEMBL7840775 0.83 ALDH1A1 (0.97) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL29400952 0.83 POLB (0.74) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL6692611 0.82 POLB (1.00) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL11463170 0.82 POLB (1.00) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL8883949 0.82 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1GAAPOLB
SCHEMBL20246861 0.82 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1GAAPOLB

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-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 — — US disclosed
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