SCHEMBL6977056

SCHEMBL6977056

O=[N+]([O-])c1ccc(NN2C=NCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
FKBP1A P62942 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGIR P43119 1/20 0.40
SRC P12931 1/20 0.40

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
Acetic Acid SCHEMBL6967868 0.92 GAA (0.43) ALDH1A1RECQLHSD17B10LMNAMAPT
SCHEMBL11545193 0.74 GAA (0.58) ALDH1A1LMNAMAPTGAAMEN1
SCHEMBL14045402 0.69 KDM4E (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2705633 0.68 CYP19A1 (0.58) ALDH1A1RECQLHSD17B10LMNAMAPT
SCHEMBL15453937 0.68 ARG1 (0.35) GAA
SCHEMBL6072900 0.67 NPC1 (0.43) ALDH1A1HSD17B10LMNAMAPTMEN1
SCHEMBL12770885 0.66 HPGD (0.53) ALDH1A1RECQLHSD17B10LMNAMAPT
SCHEMBL29006929 0.66 GAA (0.46) ALDH1A1RECQLHSD17B10LMNAMAPT
SCHEMBL316179 0.66 ALDH1A1 (0.61) ALDH1A1RECQLHSD17B10LMNAMAPT
SCHEMBL8770433 0.66 ALDH1A1 (0.61) ALDH1A1RECQLHSD17B10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944603-B1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES PROCTER & GAMBLE (US) 2003-02-19 EP disclosed
US-6066740-A Process for making 2-amino-2-imidazoline, guanidine and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives THE PROCTER & GAMBLE COMPANY (US) 2000-05-23 US disclosed
EP-0944603-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023595-A1 PROCESS FOR MAKING 2-AMINO-2-IMIDAZOLINE, GUANIDINE, AND 2-AMINO-3,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed