SCHEMBL12334372

SCHEMBL12334372

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.58
ITGB1 P05556 2/20 0.54
ITGA4 P13612 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
IL2 P60568 1/20 0.51
TLR7 Q9NYK1 4/20 0.48
TYK2 P29597 2/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
HTT P42858 1/20 0.47
NOD2 Q9HC29 1/20 0.47
TLR8 Q9NR97 5/20 0.46
TRPA1 O75762 3/20 0.45
MLYCD O95822 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL12334582 0.90 RORC (0.61) RORCSMN1; SMN2GAAMAPTRAB9A
SCHEMBL12334258 0.84 TLR8 (0.61) RORCSMN1; SMN2GAAMAPTRAB9A
SCHEMBL8657575 0.81 SMN1; SMN2 (0.54) RORCSMN1; SMN2GAAMAPTRAB9A
SCHEMBL12334378 0.81 RORC (0.72) RORCITGB1ITGA4SMN1; SMN2GAA
SCHEMBL14887755 0.80 RAB9A (0.55) ITGB1ITGA4GAAMAPTRAB9A
SCHEMBL12334663 0.80 RORC (0.71) RORCSMN1; SMN2GAARAB9AMLYCD
SCHEMBL12334586 0.78 RORC (0.72) RORCSMN1; SMN2MAPTRAB9AHTT
SCHEMBL12334246 0.77 RAB9A (0.61) SMN1; SMN2GAAMAPTRAB9ANPSR1
SCHEMBL31078087 0.76 RORC (0.65) RORCSMN1; SMN2MAPTRAB9ANPSR1
SCHEMBL21652170 0.75 HDAC3 (0.53) RORCITGB1ITGA4GAAMAPT

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-2011115892-A1 MODULATORS OF THE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTORS GRIFFIN PATRICK R (US) 2011-09-22 WO disclosed