SCHEMBL7973463

SCHEMBL7973463

O=C(CI)NCc1c(O)ccc2c1Oc1c(ccc(O)c1CNC(=O)CI)C21OC(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.58
GNB1 P62873 1/20 0.58
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 2/20 0.46
THRB P10828 1/20 0.46
CDK2 P24941 1/20 0.46
CHAT P28329 1/20 0.46
BLVRB P30043 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 6/20 0.44
FTO Q9C0B1 3/20 0.44
PRMT1 Q99873 2/20 0.44
HTT P42858 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL7973207 0.90 FTO (0.58) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL13825520 0.82 GNG2 (0.60) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL3923505 0.80 FTO (0.58) GNG2GNB1MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL8712401 0.80 FTO (0.57) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL7212008 0.79 GNG2 (0.69) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL7969960 0.78 FTO (0.43) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL13194784 0.76 GNG2 (0.60) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL15467589 0.76 GNG2 (0.60) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL7973323 0.76 FTO (0.59) GNG2GNB1MEN1KMT2ATDP1
SCHEMBL112918 0.75 GNG2 (0.74) GNG2GNB1MEN1KMT2ATDP1

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
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-0537981-B1 Cleavage method for acyl thiohydantoins and use of the method in C-terminal peptide sequencing PERKIN ELMER CORP (US) 1998-06-03 EP disclosed
EP-0537981-A2 Cleavage method for acyl thiohydantoins and use of the method in C-terminal peptide sequencing THE PERKIN-ELMER CORPORATION (US) 1993-04-21 EP disclosed
US-5185266-A Cleaving an alkylated thiohydantoin adduct from a peptide under anhydrous, acidic conditions and analyzing the side chain of the amino acid APPLIED BIOSYSTEMS, INC. (US) 1993-02-09 US disclosed