SCHEMBL18948579

SCHEMBL18948579

CN(CCO)S(=O)(=O)c1cccc(C(O)Nc2cccc(C(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ PRKCA P17252 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ GSTO1 P78417 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ AURKAIP1 Q9NWT8 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33

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
SCHEMBL15076746 0.81 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL21844941 0.74 GBA1 (0.43) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL18948558 0.70 GSTO1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL21844861 0.70 PSEN1 (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL21844937 0.68 GSTO1 (0.39) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL2852904 0.68 KMT2A (0.56) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL2224740 0.68 KMT2A (0.52) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL21844939 0.67 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL15076755 0.67 HTR2B (0.51) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL15276893 0.67 SIRT2 (0.60) KMT2AMEN1ALDH1A1MAPT

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-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 — — US disclosed
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