SCHEMBL1666842

SCHEMBL1666842

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL8953727 0.84 LMNA (0.50) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL1857686 0.84 LMNA (0.50) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL4365310 0.84 LMNA (0.50) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL1857683 0.84 LMNA (0.50) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL4592273 0.83 MAPK1 (0.50) MEN1KMT2ACYP2C19CYP1A2MAPT
SCHEMBL19369766 0.83 MAPK1 (0.50) MEN1KMT2ACYP2C19CYP1A2MAPT
SCHEMBL1625885 0.80 MEN1 (0.56) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL1625876 0.80 MEN1 (0.56) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL1625595 0.80 MEN1 (0.56) MEN1KMT2ACYP2C19CYP1A2LMNA
SCHEMBL19361684 0.80 KMT2A (0.50) MEN1KMT2ACYP2C19MAPTLMNA

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
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 EP disclosed
WO-2011042117-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-04-14 WO disclosed