SCHEMBL2664082

SCHEMBL2664082

NNC(=O)c1cc(Cl)c(O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GFER P55789 1/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 2/20 0.44
NSD2 O96028 1/20 0.44
LMNA P02545 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
CASP6 P55212 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42

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
SCHEMBL2966316 0.83 HSP90AA1 (0.57) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL2648963 0.83 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL2663969 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL2664080 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL18013115 0.77 KEAP1 (0.46) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL4169639 0.76 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AHSP90AA1
SCHEMBL8349593 0.75 GAA (0.46) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL9072065 0.75 GAA (0.50) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL1544647 0.74 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EGFERGAA
SCHEMBL23067374 0.73 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EGFERGAA

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
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed