SCHEMBL26364981

SCHEMBL26364981

CC(C)(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 3/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
BLM P54132 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL14397310 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL15874898 0.80 TDP1 (0.59) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL3393320 0.80 RAB9A (0.58) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL1554424 0.80 TDP1 (0.63) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL26343169 0.79 TDP1 (0.51) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL1800858 0.77 TDP1 (0.63) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL26343228 0.77 PDK1 (0.52) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL1554602 0.76 TDP1 (0.75) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL8214312 0.75 TDP1 (0.52) PLK1PLK3MEN1KMT2AL3MBTL1
SCHEMBL29365206 0.74 PLK1 (0.47) PLK1PLK3MEN1KMT2AL3MBTL1

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-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed