SCHEMBL7970168

SCHEMBL7970168

Nc1ccc2c(c1)C(=O)OC21c2cc(F)c(O)c(F)c2Oc2c1cc(F)c(O)c2F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.60
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GNG2 P59768 1/20 0.45
GNB1 P62873 1/20 0.45
TDP1 Q9NUW8 4/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
PRMT1 Q99873 2/20 0.44
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
CDK2 P24941 1/20 0.44
CHAT P28329 1/20 0.44
BLVRB P30043 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 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
SCHEMBL1942341 0.85 MEN1 (0.61) FTOMEN1KMT2AGNG2GNB1
SCHEMBL3655680 0.83 GNG2 (0.43) FTOMEN1KMT2AGNG2GNB1
SCHEMBL16980185 0.81 GNG2 (0.41) FTOMEN1KMT2AGNG2GNB1
SCHEMBL7971498 0.79 FTO (0.69) FTOMEN1KMT2AGNG2GNB1
SCHEMBL16980187 0.78 KCNH2 (0.40) FTOMEN1KMT2AGNG2GNB1
SCHEMBL220211 0.76 FTO (1.00) FTOMEN1KMT2ATDP1RECQL
SCHEMBL29413057 0.76 FTO (1.00) FTOMEN1KMT2ATDP1RECQL
SCHEMBL8459986 0.75 FTO (0.60) FTOMEN1KMT2AGNG2GNB1
SCHEMBL27920238 0.74 FTO (0.97) FTOMEN1KMT2ATDP1RECQL
SCHEMBL16984107 0.74 KCNH2 (0.41) FTOMEN1KMT2AGNG2GNB1

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
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed