SCHEMBL5021886

SCHEMBL5021886

Nc1cccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4c(F)cccc4Cl)cc32)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.79
NR1I2 O75469 4/20 0.79
RORA P35398 4/20 0.79
NR1H2 P55055 4/20 0.79
NR1H3 Q13133 4/20 0.79
RORB Q92753 4/20 0.79
NR1H4 Q96RI1 4/20 0.79
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 2/20 0.53

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
SCHEMBL5021887 0.91 RORC (0.85) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023110 0.91 RORC (0.88) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5022225 0.90 RORC (0.85) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15610924 0.89 RORC (0.90) RORCNR1I2RORANR1H2NR1H3
SCHEMBL4560678 0.89 RORC (1.00) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5021889 0.89 RORC (0.86) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5022254 0.88 RORC (0.83) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15628902 0.87 RORC (0.76) RORCNR1I2RORANR1H2NR1H3
SCHEMBL5023492 0.87 RORC (0.81) RORCNR1I2RORANR1H2NR1H3
SCHEMBL15611524 0.87 RORC (0.87) RORCNR1I2RORANR1H2NR1H3

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