SCHEMBL29370463

SCHEMBL29370463

CC(=O)Nc1ccc(OC(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.52
MAPK1 P28482 3/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH3A1 P30838 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5952505 1.00 MAPT (0.57) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL9528513 0.87 MAPT (0.52) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6327234 0.86 ALDH1A1 (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6525254 0.85 MAPT (0.62) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL3483129 0.85 KMT2A (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL9819647 0.85 MAPT (0.56) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL11003186 0.84 KMT2A (0.53) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL8784838 0.84 RAB9A (0.69) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL9687349 0.84 MAPT (0.49) MAPTNPSR1KMT2AMEN1MAPK1
SCHEMBL6500093 0.83 MAPT (0.59) MAPTNPSR1KMT2AMEN1MAPK1

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-110487918-B Method for analyzing genotoxic impurities in pantoprazole sodium and initial raw material thereof 中国医学科学院药物研究所 2022-02-08 CN claimed