SCHEMBL7976517

SCHEMBL7976517

NC(=O)C(I)c1ccc2c(c1)C1(OC2=O)c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2C19 P33261 2/20 0.40
PRMT1 Q99873 2/20 0.40
HPGD P15428 1/20 0.40
SMAD3 P84022 1/20 0.40
DHFR P00374 2/20 0.36
LMNA P02545 3/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.33
CDK2 P24941 1/20 0.33
CHAT P28329 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
SCHEMBL7971505 0.92 FTO (0.45) FTOMAPTMEN1KMT2AHTT
SCHEMBL3489324 0.84 FTO (0.59) FTOMAPTMEN1KMT2AHTT
SCHEMBL7976347 0.80 FTO (0.55) FTOMAPTMEN1KMT2AHTT
SCHEMBL3656489 0.78 FTO (0.44) FTOMAPTMEN1KMT2AHTT
Bromide SCHEMBL23115511 0.77 FTO (0.43) FTOMAPTMEN1KMT2AHTT
SCHEMBL408340 0.77 MAPT (0.64) FTOMAPTMEN1KMT2AHTT
SCHEMBL29367262 0.77 MAPT (0.64) FTOMAPTMEN1KMT2AHTT
SCHEMBL30218785 0.77 MAPT (0.64) FTOMAPTMEN1KMT2AHTT
SCHEMBL2019142 0.76 FTO (0.63) FTOMAPTMEN1KMT2AHTT
SCHEMBL3651261 0.75 FTO (0.43) FTOMAPTMEN1KMT2AHTT

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