SCHEMBL5846779

SCHEMBL5846779

O=C1c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
SCN2A Q99250 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HTT P42858 2/20 0.51
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
CCR6 P51684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL5707613 0.84 ALDH1A1 (0.54) LMNACA2CA9ALDH1A1HTT
SCHEMBL28752524 0.84 ALDH1A1 (0.51) LMNACA2CA9ESR1ESR2
SCHEMBL28752521 0.84 LMNA (0.56) LMNACA2CA9ESR1ESR2
SCHEMBL9806781 0.83 LMNA (0.81) LMNACA2CA9ALDH1A1POLB
SCHEMBL19380491 0.82 LMNA (0.71) LMNACA2CA9SCN2AALDH1A1
SCHEMBL6857955 0.82 LMNA (0.51) LMNACA2CA9ESR1ESR2
SCHEMBL11305617 0.80 ESR1 (0.57) LMNACA2CA9SCN2AESR1
SCHEMBL16655162 0.80 ESR1 (0.57) LMNACA2CA9SCN2AESR1
SCHEMBL2891199 0.80 ATM (0.49) LMNACA2CA9SCN2AESR1
SCHEMBL11863055 0.80 ESR1 (0.57) LMNASCN2AESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5078351-A None JP disclosed
US-7151112-B1 Pharmaceutical uses and synthesis of nicotinamides UCB SA (GB) 2006-12-19 US disclosed
US-6777432-B1 TREATING A SUBJECT HAVING AN INFLAMMATORY DISORDER ALLEVIATED BY THE INHIBITION OF GRO- ALPHA CYTOKINES DARWIN MOLECULAR CORPORATION 2004-08-17 US disclosed
JP-H0578351-A TETRAHYDROPHTHALIMIDE DERIVATIVE SUMITOMO CHEM CO LTD 1993-03-30 JP disclosed
EP-0322401-B1 TETRAHYDROPHTHALIMIDE DERIVATIVES, THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-3966726-A Process for the production of cyclic carboxylic acid imides AKZO N.V. (NL) 1976-06-29 US disclosed
JP-H00578351-A 0001-01-01 JP disclosed