SCHEMBL8560000

SCHEMBL8560000

O=S(=O)(Nc1nc(Cc2ccccc2)oc1-c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL8559699 0.91 MAPT (0.43) KMOTSHRALDH1A1MAPTKDM4E
SCHEMBL8560019 0.91 MAPT (0.43) TSHRMAPK1TDP1ALDH1A1MAPT
SCHEMBL9026498 0.89 MAPT (0.43) KMOTSHRMAPK1TDP1ALDH1A1
SCHEMBL8555756 0.88 MAPT (0.46) TSHRMAPK1ALDH1A1MAPTKDM4E
SCHEMBL8560184 0.88 MAPT (0.46) TSHRALDH1A1MAPTKDM4EMEN1
SCHEMBL8560337 0.88 MAPT (0.50) ALDH1A1MAPTKDM4ERXFP1GAA
SCHEMBL8556146 0.87 PGR (0.50) TSHRRXRARXRBRXRGALDH1A1
SCHEMBL8556039 0.87 MAPT (0.44) TSHRRXRARXRBRXRGALDH1A1
SCHEMBL8557471 0.86 MAPT (0.48) TSHRALDH1A1MAPTKDM4ERXFP1
SCHEMBL8555914 0.85 MAPT (0.43) TSHRALDH1A1MAPTKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed