SCHEMBL8697883

SCHEMBL8697883

CC(C[N+]([O-])=Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 9/20 0.43
KMT2A Q03164 8/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 2/20 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
SCHEMBL8696553 0.88 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL8700372 0.85 MAOB (0.41) ALDH1A1KMT2ALMNAGAAMEN1
SCHEMBL8697540 0.80 G6PD (0.43) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL8704050 0.80 MAPT (0.40) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL8697712 0.77 CHRNB2 (0.41) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL8696999 0.76 MAPT (0.52) ALDH1A1MAPTKMT2AGAAMEN1
SCHEMBL8699062 0.74 FBP1 (0.41) ALDH1A1RAB9ANPC1KMT2ATDP1
SCHEMBL8702479 0.72 KMT2A (0.42) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL8697163 0.72 CES2 (0.39) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL29094788 0.71 RELA (0.49) ALDH1A1KDM4EHPGDMAPTKMT2A

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