SCHEMBL6922116

SCHEMBL6922116

O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1C(F)C(F)F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORA P35398 6/20 0.62
RORC P51449 6/20 0.62
NR1H2 P55055 4/20 0.62
NR1H4 Q96RI1 1/20 0.62
NR1H3 Q13133 3/20 0.60
RORB Q92753 2/20 0.52
PGAM1 P18669 1/20 0.41
IDH1 O75874 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MLYCD O95822 2/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3817824 0.79 RORA (0.68) RORARORCNR1H2NR1H4NR1H3
SCHEMBL31078033 0.79 RORA (0.68) RORARORCNR1H2NR1H4NR1H3
SCHEMBL12334079 0.77 RORA (1.00) RORARORCNR1H2NR1H4NR1H3
SCHEMBL6922110 0.76 RORC (0.64) RORARORCNR1H2NR1H4NR1H3
SCHEMBL2415124 0.76 NR1H3 (1.00) RORARORCNR1H2NR1H4NR1H3
SCHEMBL6922105 0.75 RORA (0.62) RORARORCNR1H2NR1H4NR1H3
SCHEMBL2944332 0.71 NR1H3 (0.66) RORARORCNR1H2NR1H4NR1H3
SCHEMBL12334557 0.71 NR1H3 (0.84) RORARORCNR1H2NR1H4NR1H3
SCHEMBL12334070 0.71 ALDH1A1 (0.67) RORARORCNR1H2NR1H4NR1H3
SCHEMBL12334066 0.70 RORA (1.00) RORARORCNR1H2NR1H4NR1H3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723893-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF Galderma Research & Development (FR) 2014-04-30 EP claimed
WO-2013000871-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO claimed
WO-2004072046-A2 QUINOLINE DERIVATIVES AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed
WO-2004072042-A2 QUINOLINE DERIVATIVE AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed