SCHEMBL28114934

SCHEMBL28114934

CN(C)C(=O)c1c(F)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.44
GPR35 Q9HC97 2/20 0.43
TSHR P16473 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERN1 O75460 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL16044470 0.81 TDP1 (0.53) KMT2ATDP1L3MBTL1POLBGPR35
SCHEMBL30514277 0.81 KMT2A (0.53) KMT2AHTTTDP1L3MBTL1POLB
SCHEMBL8569018 0.80 TDP1 (0.58) KMT2ATDP1POLBCES2CES1
SCHEMBL17819747 0.80 TDP1 (0.64) KMT2AHTTTDP1L3MBTL1POLB
SCHEMBL355378 0.80 TDP1 (0.64) KMT2AHTTTDP1L3MBTL1POLB
SCHEMBL5098760 0.79 TSHR (0.59) KMT2AHTTTDP1L3MBTL1POLB
SCHEMBL25176225 0.78 TDP1 (0.53) KMT2ATDP1L3MBTL1GPR35TSHR
SCHEMBL793112 0.78 TDP1 (0.49) KMT2ATDP1L3MBTL1GPR35TSHR
SCHEMBL16108925 0.78 TDP1 (0.49) KMT2ATDP1L3MBTL1POLBGPR35
SCHEMBL28103813 0.78 TDP1 (0.43) KMT2AHTTTDP1L3MBTL1GPR35

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