SCHEMBL11307656

SCHEMBL11307656

O=[N+]([O-])c1ccccc1/C=C/c1ccc(/C=C/c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.65
MAPT P10636 5/20 0.61
BACE1 P56817 1/20 0.60
SOS1 Q07889 1/20 0.57
MAOB P27338 1/20 0.56
RAB9A P51151 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 2/20 0.50
HSP90AA1 P07900 1/20 0.50
NFE2L2 Q16236 1/20 0.50

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
SCHEMBL29809086 1.00 CYP19A1 (0.65) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL11307663 1.00 CYP19A1 (0.65) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL1578983 0.96 MAPT (0.66) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL1578978 0.96 MAPT (0.66) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL29594574 0.96 MAPT (0.66) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL5442818 0.96 MAPT (0.66) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL2774588 0.93 CYP19A1 (0.60) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL2774584 0.93 CYP19A1 (0.60) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL9978289 0.92 MAPT (0.69) CYP19A1MAPTBACE1SOS1MAOB
SCHEMBL14935499 0.92 MAPT (0.69) CYP19A1MAPTBACE1SOS1MAOB

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
JP-56087545-A None JP disclosed
JP-S5687545-A NOVEL DISAZO COMPOUND AND ITS PREPARATION RICOH CO LTD 1981-07-16 JP disclosed