SCHEMBL5141205

SCHEMBL5141205

O=[C]c1ccc([N+](=O)[O-])c(C(=O)c2ccccc2[N+](=O)[O-])c1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
HSP90AA1 P07900 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MITF O75030 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
S1PR2 O95136 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL10341585 0.83 CES2 (0.60) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8962890 0.80 CES2 (0.57) CES2CES1TP53ALDH1A1TSHR
SCHEMBL6831436 0.76 CES2 (0.55) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8976663 0.75 L3MBTL1 (0.47) CES2CES1ALDH1A1TSHRMEN1
SCHEMBL8107324 0.74 ALDH1A1 (0.74) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8124407 0.72 ALDH1A1 (0.58) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8976660 0.72 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPTHTT
SCHEMBL9079084 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTHTTRAB9A
SCHEMBL10903202 0.71 ALDH1A1 (0.56) CES2CES1TP53ALDH1A1TSHR
SCHEMBL7651789 0.71 SNCA (0.44) MEN1KMT2AMAPTHSP90AA1POLB

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-2001896-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION Agilent Technologies, Inc. (US) 2008-12-17 EP claimed
WO-2007112263-A2 MONOMER COMPOSITIONS FOR THE SYNTHESIS OF RNA, METHODS OF SYNTHESIS, AND METHODS OF DEPROTECTION AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO claimed