SCHEMBL28114926

SCHEMBL28114926

CN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HKDC1 Q2TB90 1/20 0.45
KCNMA1 Q12791 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 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
SCHEMBL5508386 0.87 ATM (0.51) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL955421 0.85 ATM (0.42) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL621197 0.81 TDP1 (0.52) KMT2AMEN1L3MBTL1ATMTDP1
SCHEMBL135219 0.81 ALDH1A1 (0.53) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL28114927 0.81 HPGD (0.52) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL5061949 0.80 KMT2A (0.53) KMT2AMEN1HPGDNPSR1L3MBTL1
SCHEMBL404750 0.80 TDP1 (0.53) HTTATMTDP1KCNMA1MAPT
SCHEMBL32667924 0.79 HCAR3 (0.63) KMT2AMEN1HPGDNPSR1ALDH1A1
SCHEMBL1645187 0.79 SLC6A4 (0.64) KMT2AMEN1HPGDL3MBTL1HTT
SCHEMBL4817687 0.78 ATM (0.52) HPGDL3MBTL1ATMTDP1KCNMA1

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
CN-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN disclosed