SCHEMBL8697472

SCHEMBL8697472

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
RAB9A P51151 4/20 0.41
ATM Q13315 1/20 0.41
HCAR3 P49019 1/20 0.40
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL8700332 0.85 MMP2 (0.39) MAOBMAPTALDH1A1KMT2AMEN1
SCHEMBL8702479 0.84 KMT2A (0.42) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL8696613 0.84 CYP1A2 (0.39) MAPTALDH1A1RAB9AATMNPC1
SCHEMBL8699037 0.82 MAPT (0.44) MAOBMAPTALDH1A1NPSR1KMT2A
SCHEMBL8697300 0.80 MAPT (0.50) MAOBMAPTALDH1A1NPSR1KMT2A
SCHEMBL8697105 0.78 MMP2 (0.41) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL11373340 0.77 CPA1 (0.53) MAPTKMT2AMEN1RAB9AATM
SCHEMBL8700018 0.77 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL8700342 0.77 MAOB (0.40) MAOBMAPTALDH1A1NPSR1KMT2A
SCHEMBL8696621 0.77 G6PD (0.41) MAOBMAPTALDH1A1KMT2AMEN1

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
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