SCHEMBL6996495

SCHEMBL6996495

O=S(=O)(C1c2ccccc2Oc2ccccc21)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ATM Q13315 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
CYP2C9 P11712 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL9226919 0.83 MAOA (0.48) MAOAMAOBATMHDAC3HDAC4
SCHEMBL29945051 0.83 MAOA (0.54) MAOAMAOBATMHDAC3HDAC4
SCHEMBL4855247 0.83 ATM (0.50) MAOAMAOBATMHDAC3HDAC4
SCHEMBL2098387 0.83 MAOA (0.54) MAOAMAOBATMHDAC3HDAC4
SCHEMBL31474870 0.79 MAOA (0.45) MAOAMAOBATMHDAC3HDAC4
SCHEMBL19458502 0.78 MAOA (0.64) MAOAMAOBATMHDAC3HDAC4
SCHEMBL28968619 0.74 FFAR4 (0.40) MAOAMAOBATMHDAC3HDAC4
SCHEMBL3236129 0.73 MAOA (0.58) MAOAMAOBATMHDAC3HDAC4
SCHEMBL68804 0.73 MAOA (0.52) MAOAMAOBATMHDAC3HDAC4
SCHEMBL14015371 0.71 MAOA (0.50) MAOAMAOBATMHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686680-B1 FLUORESCENT DYES, FLUORESCENT DYE KITS, AND METHODS OF PREPARING LABELED MOLECULES BIOTIUM INC (US) 2018-06-13 EP claimed
EP-0966458-B1 SULFONATED XANTHENE DERIVATIVES MOLECULAR PROBES INC (US) 2003-08-13 EP disclosed
EP-0993610-A1 FOOD QUALITY INDICATOR DEVICE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-04-19 EP disclosed
EP-0966458-A1 SULFONATED XANTHENE DERIVATIVES Molecular Probes Inc. (US) 1999-12-29 EP disclosed
WO-1999004256-B1 FOOD QUALITY INDICATOR DEVICE US HEALTH (US) 1999-04-29 WO disclosed
WO-1999015517-A1 SULFONATED XANTHENE DERIVATIVES MOLECULAR PROBES, INC. (US) 1999-04-01 WO disclosed
WO-1999004256-A1 FOOD QUALITY INDICATOR DEVICE THE GOVERNMENT OF THE UNITED STATES OF AMERICA,RE PRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-28 WO disclosed
EP-0508341-B1 Sulfonated xanthene dyes POLAROID CORP (US) 1996-02-14 EP disclosed
EP-0508341-A1 Sulfonated xanthene dyes POLAROID CORPORATION (US) 1992-10-14 EP disclosed