SCHEMBL12366168

SCHEMBL12366168

[C-]#[N+]CC(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
LMNA P02545 2/20 0.43
PPARG P37231 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAOB P27338 1/20 0.41
IDO1 P14902 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL12366135 0.82 LMNA (0.62) LMNAALDH1A1MAOBKMT2A
SCHEMBL12366208 0.80 SRC (0.57) ALDH1A1KMT2A
SCHEMBL23564760 0.79 P2RX7 (0.46) P2RX7LMNAPPARGALDH1A1TRPV1
SCHEMBL31565001 0.79 ALDH1A1 (0.51) P2RX7LMNAPPARGALDH1A1TRPV1
SCHEMBL1456923 0.79 P2RX7 (0.49) P2RX7LMNA
SCHEMBL1456919 0.79 P2RX7 (0.49) P2RX7LMNA
SCHEMBL12366142 0.79 KMT2A (0.59) ALDH1A1GAAMEN1KMT2A
SCHEMBL31036978 0.79 P2RX7 (0.49) P2RX7LMNA
SCHEMBL4038038 0.79 ALDH1A1 (0.51) P2RX7LMNAPPARGALDH1A1TRPV1
SCHEMBL12261238 0.79 BDKRB1 (0.40) P2RX7LMNA

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-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed