SCHEMBL9626320

SCHEMBL9626320

O=C(CS)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.74
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTT P42858 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
SMAD3 P84022 1/20 0.59
KMT2A Q03164 1/20 0.59
PRMT1 Q99873 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
DRD1 P21728 5/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.49
TTR P02766 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK14 Q16539 1/20 0.46
KCNH2 Q12809 1/20 0.46
JAK2 O60674 1/20 0.45

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
SCHEMBL10478983 0.92 FTO (0.63) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL15658275 0.91 FTO (0.71) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL29660490 0.89 FTO (0.74) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL392368 0.89 FTO (0.74) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL7611076 0.89 FTO (0.74) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL9428406 0.89 FTO (0.74) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL29406840 0.89 FTO (0.78) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL17970938 0.89 FTO (0.74) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL25103 0.89 FTO (0.78) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL7038220 0.88 FTO (0.72) FTOMEN1MAPTHPGDCYP2C19

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-0205005-B1 NEW BIOLOGICALLY ACTIVE FLUORESCENT CYCLIC NUCLEOTIDES UNIVERSITA' DEGLI STUDI DI PARMA (IT) 1992-05-13 EP claimed
US-4797480-A New biologically active fluorescent cyclic nucleotides UNIVERSITA DEGLI STUDI DI PARMA (IT) 1989-01-10 US claimed
US-4975532-A USING TRESYL CHLORIDE SCLAVO, INC. (US) 1990-12-04 US disclosed
US-4894348-A IMMUNOASSAYS SCLAVO INC., WAYNE, NJ A CORP. OF DE 1990-01-16 US disclosed
WO-1989000291-A1 FLUORESCEIN-CONJUGATED PROTEINS WITH ENHANCED FLUORESCENCE SCLAVO INC., WEST COAST (US) 1989-01-12 WO disclosed