SCHEMBL7212008

SCHEMBL7212008

NCc1c(O)ccc2c1Oc1c(ccc(O)c1CN)C21OC(=O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.69
GNB1 P62873 1/20 0.69
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
FTO Q9C0B1 3/20 0.51
RECQL P46063 2/20 0.51
BLM P54132 2/20 0.51
PRMT1 Q99873 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
CYP2C19 P33261 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.51
SMAD3 P84022 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
USP2 O75604 2/20 0.50
THRB P10828 1/20 0.50
CDK2 P24941 1/20 0.50
CHAT P28329 1/20 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
SCHEMBL499201 0.89 FTO (0.68) GNG2GNB1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL3996680 0.88 FTO (0.67) GNG2GNB1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9650959 0.88 FTO (0.67) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL17201722 0.83 GNG2 (0.76) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL29942282 0.82 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL334144 0.82 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL30408346 0.82 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL29424349 0.82 GNG2 (1.00) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL3937392 0.81 GNG2 (0.47) GNG2GNB1MAPTMEN1KMT2A
SCHEMBL15467589 0.81 GNG2 (0.60) GNG2GNB1MAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938675-B1 ANALYSIS OF CARBOHYDRATES AMERSHAM PLC (GB) 2003-05-07 EP disclosed
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
EP-0938675-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL plc (GB) 1999-09-01 EP disclosed
WO-1998015829-A1 ANALYSIS OF CARBOHYDRATES AMERSHAM INTERNATIONAL PLC (GB) 1998-04-16 WO disclosed