SCHEMBL7976347

SCHEMBL7976347

Nc1ccc2c(c1)C1(OC2=O)c2cc(F)c(O)cc2Oc2cc(O)c(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 7/20 0.55
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
PRMT1 Q99873 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMAD3 P84022 1/20 0.46
DHFR P00374 2/20 0.41
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 2/20 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
SCHEMBL7971498 0.90 FTO (0.69) FTOMEN1KMT2AMAPTHTT
SCHEMBL408340 0.84 MAPT (0.64) FTOMEN1KMT2AMAPTHTT
SCHEMBL29367262 0.84 MAPT (0.64) FTOMEN1KMT2AMAPTHTT
SCHEMBL30218785 0.84 MAPT (0.64) FTOMEN1KMT2AMAPTHTT
SCHEMBL3656489 0.83 FTO (0.44) FTOMEN1KMT2AMAPTHTT
Bromide SCHEMBL23115511 0.82 FTO (0.43) FTOMEN1KMT2AMAPTHTT
SCHEMBL3651261 0.82 FTO (0.43) FTOMEN1KMT2AMAPTHTT
SCHEMBL216815 0.81 FTO (0.82) FTOMEN1KMT2AMAPTHTT
SCHEMBL29564125 0.81 FTO (0.82) FTOMEN1KMT2AMAPTHTT
SCHEMBL7976517 0.80 FTO (0.40) FTOMEN1KMT2AMAPTHTT

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