SCHEMBL10280247

SCHEMBL10280247

Nc1cccc(S(=O)(=O)N2C[C@@H](CO)Oc3ccc(NC(=O)c4c(F)cccc4Cl)cc32)c1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.79
NR1I2 O75469 1/20 0.49
RORA P35398 1/20 0.49
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
RORB Q92753 1/20 0.49
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL5021992 1.00 RORC (0.79) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5022507 0.94 RORC (0.70) RORC
SCHEMBL5022579 0.94 RORC (0.70) RORC
SCHEMBL10280250 0.94 RORC (0.70) RORC
SCHEMBL5023349 0.92 RORC (0.81) RORCNR1I2RORANR1H2NR1H3
SCHEMBL10280233 0.91 RORC (0.66) RORC
SCHEMBL10280237 0.91 RORC (0.66) RORC
SCHEMBL5022528 0.91 RORC (0.68) RORC
SCHEMBL10280235 0.90 RORC (0.79) RORC
SCHEMBL5023788 0.90 RORC (0.79) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012064744-A2 TETRAHYDROQUINOLINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORϒ ACTIVITY AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2012-05-18 WO disclosed