SCHEMBL16655994

SCHEMBL16655994

COc1nc2ccc(C(O)(c3ccnc(C(F)(F)F)c3)c3cncn3S(C)(=O)=O)cc2c(Cl)c1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.68

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
SCHEMBL16650478 0.90 RORC (0.84) RORC
SCHEMBL16632101 0.82 RORC (0.84) RORC
SCHEMBL16662059 0.81 RORC (0.91) RORC
SCHEMBL16651799 0.81 RORC (1.00) RORC
SCHEMBL16662491 0.80 RORC (0.68) RORC
SCHEMBL16655819 0.79 RORC (0.67) RORC
SCHEMBL16651926 0.78 RORC (0.82) RORC
SCHEMBL16651707 0.78 RORC (0.80) RORC
SCHEMBL21004630 0.78 RORC (0.80) RORC
SCHEMBL16651480 0.78 RORC (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057422-A1 QUINOLINYL MODULATORS OF ROR(GAMMA)T Janssen Pharmaceutica NV (BE) 2016-08-24 EP disclosed
WO-2015057626-A1 QUINOLINYL MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2015-04-23 WO disclosed