SCHEMBL3392676

SCHEMBL3392676

Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-].Nc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.87
CASP6 P55212 1/20 0.62
TSHR P16473 3/20 0.57
HCAR3 P49019 7/20 0.53
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
APEX1 P27695 1/20 0.49

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
SCHEMBL441296 0.93 LMNA (1.00) LMNACASP6TSHRHCAR3MEN1
SCHEMBL1162258 0.93 LMNA (1.00) LMNACASP6TSHRHCAR3MEN1
SCHEMBL865237 0.88 LMNA (0.65) LMNACASP6TSHRHCAR3MAPT
1,5-Pentanediol SCHEMBL8846459 0.83 LMNA (0.79) LMNACASP6TSHRHCAR3MEN1
SCHEMBL4632273 0.83 LMNA (0.64) LMNACASP6TSHRHCAR3MAPT
SCHEMBL27717235 0.82 LMNA (0.71) LMNACASP6TSHRHCAR3MEN1
SCHEMBL3392678 0.81 LMNA (0.62) LMNATSHRMEN1MAPTKMT2A
SCHEMBL31174170 0.81 LMNA (0.77) LMNACASP6TSHRMEN1MAPT
SCHEMBL865520 0.81 LMNA (0.77) LMNACASP6TSHRMEN1MAPT
SCHEMBL1607853 0.80 LMNA (0.74) LMNACASP6TSHRHCAR3TDP1

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-2152660-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP Rolic AG (CH) 2010-02-17 EP disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 WO disclosed