SCHEMBL17263272

SCHEMBL17263272

COC(=O)c1nccnc1-c1ccc(C(F)(F)F)cc1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.48
CFTR P13569 1/20 0.45
MAPT P10636 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.40
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
LMNA P02545 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SCN9A Q15858 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL17263270 0.84 ALPL (0.41) ALDH1A1L3MBTL1
SCHEMBL27642971 0.81 MAPT (0.48) TRPV1CFTRMAPTLMNATLR7
SCHEMBL24986738 0.81 CFTR (0.44) TRPV1CFTRMAPTPTGDR2TLR2
SCHEMBL13320926 0.81 RIOK2 (0.36) TRPV1MAPTL3MBTL1KMT2A
SCHEMBL30185201 0.81 CFTR (0.44) TRPV1CFTRMAPTPTGDR2TLR2
SCHEMBL24985580 0.78 MCL1 (0.41) TRPV1CFTRMAPTSCN9A
SCHEMBL30185153 0.78 MCL1 (0.41) TRPV1CFTRMAPTSCN9A
SCHEMBL17263271 0.77 L3MBTL1 (0.45) MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL13320727 0.76 TRPV1 (0.44) TRPV1SCN9A
Hydrochloric Acid SCHEMBL580962 0.74 KDM4E (0.53) TRPV1CFTRTLR2TLR1LMNA

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
US-9187689-B2 Organometallic complex and light-emitting element, light-emitting device, and electronic device using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-11-17 US disclosed