SCHEMBL21574595

SCHEMBL21574595

C=C(OC)c1ccc2nc(CC)c(Cc3ccc(CC(F)(F)F)cc3)c(Cl)c2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 1/20 0.37

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
SCHEMBL16632703 0.78 RORC (0.53) RORCALDH1A1L3MBTL1DHFR
SCHEMBL28093359 0.76 RORC (0.55) RORCALDH1A1L3MBTL1DHFR
SCHEMBL21574646 0.74 RORC (0.51) RORCALDH1A1L3MBTL1
SCHEMBL21075983 0.72 RORC (0.55) RORC
SCHEMBL21574758 0.72 RORC (0.44) RORC
SCHEMBL16655198 0.71 RORC (0.51) RORC
SCHEMBL15648267 0.70 CYP1A2 (0.52) RORC
SCHEMBL21004772 0.70 ALDH1A1 (0.49) RORCALDH1A1L3MBTL1
SCHEMBL16632874 0.68 RORC (0.55) RORC
SCHEMBL28093128 0.67 RORC (0.47) RORCL3MBTL1

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
EP-3057951-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-11-20 EP disclosed