SCHEMBL8696553

SCHEMBL8696553

CC(C[N+]([O-])=Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
LMNA P02545 6/20 0.40
PRMT1 Q99873 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
ATM Q13315 2/20 0.37
MDM2 Q00987 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL8704050 0.90 MAPT (0.40) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8697540 0.90 G6PD (0.43) ALDH1A1KMT2AMAPTATML3MBTL1
SCHEMBL8700372 0.90 MAOB (0.41) ALDH1A1KMT2APGRADRA2AADRA2B
SCHEMBL8697883 0.88 HDAC3 (0.49) ALDH1A1KMT2APGRADRA2AADRA2B
SCHEMBL8697712 0.87 CHRNB2 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTFBP1
SCHEMBL8696999 0.86 MAPT (0.52) ALDH1A1KMT2AMAPTL3MBTL1HTT
SCHEMBL8699062 0.84 FBP1 (0.41) ALDH1A1KMT2ATDP1FBP1NPC1
SCHEMBL8702479 0.82 KMT2A (0.42) ALDH1A1KMT2APGRADRA2AADRA2B
SCHEMBL8697163 0.82 CES2 (0.39) ALDH1A1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL8698014 0.80 MAPT (0.41) ALDH1A1KMT2APGRADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998003478-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed
WO-1998003479-A1 NITRONE DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-01-29 WO disclosed