SCHEMBL8696162

SCHEMBL8696162

CCC(C[N+]([O-])=Cc1cccc(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
FBP1 P09467 2/20 0.39
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
AKR1C3 P42330 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MMP15 P51511 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
SCHEMBL8702479 0.88 KMT2A (0.42) KMT2AALDH1A1FBP1MEN1MMP2
SCHEMBL8700342 0.87 MAOB (0.40) MAOBKMT2AALDH1A1MEN1MMP2
SCHEMBL8696621 0.87 G6PD (0.41) MAOBKMT2AALDH1A1MEN1MMP2
SCHEMBL8697300 0.85 MAPT (0.50) MAOBKMT2AALDH1A1MEN1CYP1A2
SCHEMBL8697105 0.81 MMP2 (0.41) POLBKMT2AALDH1A1MEN1MMP2
SCHEMBL8700018 0.80 ALDH1A1 (0.41) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL8702949 0.80 MMP2 (0.40) POLBKMT2AALDH1A1MEN1MMP2
SCHEMBL8702048 0.80 MMP2 (0.40) POLBKMT2AALDH1A1AKR1C3MEN1
SCHEMBL8697868 0.79 MAOB (0.46) MAOBPOLBKMT2AALDH1A1FBP1
SCHEMBL8698014 0.78 MAPT (0.41) KMT2AALDH1A1MMP2MMP9MMP12

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-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
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