SCHEMBL7976241

SCHEMBL7976241

O=C1OC2(c3cc(F)c(O)cc3Oc3cc(O)c(F)cc32)c2ccc(CBr)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
PRMT1 Q99873 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
SMAD3 P84022 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSTP1 P09211 1/20 0.46
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GNG2 P59768 1/20 0.38
GNB1 P62873 1/20 0.38

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
SCHEMBL7973211 0.88 GSTP1 (0.59) FTOMAPTMEN1HTTKMT2A
SCHEMBL7973516 0.88 FTO (0.49) FTOMAPTMEN1HTTKMT2A
SCHEMBL337558 0.83 FTO (0.67) FTOMAPTMEN1HTTKMT2A
SCHEMBL29755003 0.83 FTO (0.67) FTOMAPTMEN1HTTKMT2A
SCHEMBL7971498 0.82 FTO (0.69) FTOMAPTMEN1HTTKMT2A
SCHEMBL408340 0.81 MAPT (0.64) FTOMAPTMEN1HTTKMT2A
SCHEMBL30218785 0.81 MAPT (0.64) FTOMAPTMEN1HTTKMT2A
SCHEMBL29367262 0.81 MAPT (0.64) FTOMAPTMEN1HTTKMT2A
SCHEMBL3648893 0.80 FTO (0.47) FTOMAPTMEN1HTTKMT2A
SCHEMBL3657839 0.79 FTO (0.46) FTOMAPTMEN1HTTKMT2A

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