SCHEMBL14754205

SCHEMBL14754205

Cc1nc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)ccc1-c1ccc(Cl)cc1OC(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.72
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL14754223 0.84 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14744420 0.83 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14746709 0.82 RORC (0.60) RORCCYP2C9CYP2C19
SCHEMBL14746451 0.82 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14744417 0.81 RORC (0.57) RORCCYP2C9CYP2C19
SCHEMBL14754292 0.80 RORC (0.83) RORCCYP2C9CYP2C19
SCHEMBL14744307 0.80 RORC (0.70) RORCCYP2C9CYP2C19
SCHEMBL14754236 0.78 RORC (0.45) RORC
SCHEMBL18275259 0.77 RORC (0.58) RORCCYP2C9CYP2C19
SCHEMBL18275212 0.76 RORC (0.53) RORCCYP2C9CYP2C19

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed