SCHEMBL7960302

SCHEMBL7960302

NCc1c(O)c(F)cc2c1Oc1c(cc(F)c(O)c1CN)C21OC(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
TDP1 Q9NUW8 4/20 0.55
RECQL P46063 2/20 0.55
BLM P54132 2/20 0.55
ACE2 Q9BYF1 2/20 0.55
PRMT1 Q99873 2/20 0.55
USP2 O75604 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
THRB P10828 1/20 0.55
CDK2 P24941 1/20 0.55
CHAT P28329 1/20 0.55
BLVRB P30043 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
GNG2 P59768 1/20 0.53
GNB1 P62873 1/20 0.53
MAPT P10636 6/20 0.50
FTO Q9C0B1 3/20 0.50
HTT P42858 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL7973443 0.90 MAPT (0.49) MEN1KMT2ATDP1RECQLBLM
SCHEMBL1942341 0.84 MEN1 (0.61) MEN1KMT2ATDP1RECQLBLM
SCHEMBL3656975 0.83 MEN1 (0.50) MEN1KMT2ATDP1RECQLBLM
SCHEMBL7212008 0.80 GNG2 (0.69) MEN1KMT2ATDP1RECQLBLM
SCHEMBL30121420 0.76 GNG2 (0.50) MEN1KMT2ATDP1RECQLBLM
SCHEMBL14905188 0.76 MAPT (0.55) MEN1KMT2ATDP1RECQLBLM
SCHEMBL16303146 0.76 MAPT (0.55) MEN1KMT2ATDP1RECQLBLM
SCHEMBL499201 0.75 FTO (0.68) MEN1KMT2ATDP1RECQLBLM
Trifluoroacetic Acid SCHEMBL3380146 0.74 MEN1 (0.50) MEN1KMT2ATDP1RECQLBLM
Hydrochloric Acid SCHEMBL9650959 0.74 FTO (0.67) MEN1KMT2ATDP1RECQLBLM

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