SCHEMBL29509481

SCHEMBL29509481

CC(C)(NS(=O)(=O)c1ccc(Br)c(Cl)c1F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
CCR2 P41597 3/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HSD11B1 P28845 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
CNR2 P34972 2/20 0.31
DDR1 Q08345 1/20 0.30

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
SCHEMBL17712033 1.00 ALOX5AP (0.35) ALOX5APFEN1CCR2CA1CA2
SCHEMBL8176124 0.79 CCR2 (0.38) CCR2CA1CA2
SCHEMBL31001623 0.79 CCR2 (0.38) CCR2CA1CA2
SCHEMBL29509460 0.78 RORC (0.38) ALOX5APFEN1
SCHEMBL17711913 0.78 RORC (0.38) ALOX5APFEN1
SCHEMBL17711911 0.78 RORC (0.38) ALOX5APFEN1
SCHEMBL17711943 0.76 RORC (0.40)
SCHEMBL29509394 0.76 RORC (0.40)
SCHEMBL17711944 0.76 RORC (0.40)
SCHEMBL15916151 0.73 CA1 (0.46) ALOX5APFEN1CA1CA2HSD11B1

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
CN-108064224-B Amide-substituted thiazoles as modulators of Ror gamma t 詹森药业有限公司 2022-03-29 CN disclosed