SCHEMBL13695000

SCHEMBL13695000

O=[N+]([O-])c1cc(F)c(F)cc1NCCl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GART P22102 1/20 0.46
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
POLB P06746 1/20 0.41
ALDH3A1 P30838 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
VCAM1 P19320 1/20 0.40
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KAT2B Q92831 3/20 0.38
HIF1A Q16665 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
SCHEMBL428455 0.82 HCAR3 (0.53) GARTLMNAALDH1A1MAPTKAT2B
SCHEMBL10771350 0.79 TDP1 (0.42) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL3633359 0.79 HCAR3 (0.55) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL15384088 0.76 LMNA (0.44) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL10763236 0.76 ATM (0.42) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL6870232 0.76 HCAR3 (0.49) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL12210248 0.73 LMNA (0.56) GARTLMNAALDH1A1MAPTPOLB
SCHEMBL3756498 0.73 TDP1 (0.56) LMNAALDH1A1MAPTPOLBNPSR1
SCHEMBL30257990 0.73 TDP1 (0.56) LMNAALDH1A1MAPTPOLBNPSR1
SCHEMBL18784835 0.72 LMNA (0.44) GARTLMNAALDH1A1MAPTPOLB

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-2009109258-A1 QUINOXALINONE DERIVATIVES AS INSULIN SECRETION STIMULATORS, METHODS FOR OBTAINING THEM AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-09-11 WO disclosed