SCHEMBL16296141

SCHEMBL16296141

NC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
MAPT P10636 3/20 0.68
HPGD P15428 1/20 0.62
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.51
HSP90AA1 P07900 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.48
PARP1 P09874 1/20 0.47
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHEK2 O96017 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
SCHEMBL9965425 0.81 HPGD (0.69) LMNAMAPTHPGDSMN1; SMN2MEN1
SCHEMBL30392319 0.80 HPGD (0.73) LMNAMAPTHPGDMEN1KMT2A
SCHEMBL640965 0.80 HPGD (0.73) LMNAMAPTHPGDMEN1KMT2A
SCHEMBL16294640 0.79 SLC6A4 (0.49) LMNAMAPTHPGDPOLBSMN1; SMN2
SCHEMBL3039145 0.79 HPGD (0.71) LMNAMAPTHPGDSMN1; SMN2MEN1
SCHEMBL8012839 0.78 TDP1 (0.60) LMNAMAPTHPGDPOLBSMN1; SMN2
SCHEMBL9266291 0.78 HPGD (1.00) LMNAMAPTHPGDPOLBSMN1; SMN2
SCHEMBL3050533 0.78 HPGD (0.69) LMNAMAPTHPGDPOLBSMN1; SMN2
SCHEMBL27830795 0.77 HPSE (0.68) LMNAMAPTHPGDPOLBSMN1; SMN2
SCHEMBL6811413 0.77 PARP1 (0.60) LMNAMAPTHPGDPOLBSMN1; SMN2

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-2014199164-A1 DIARYL SUBSTITUTED HETEROAROMATIC COMPOUNDS AMPLA PHARMACEUTICALS, INC. (US) 2014-12-18 WO disclosed