SCHEMBL13613864

SCHEMBL13613864

COC(=O)OC(CN(C)c1cc([N+](=O)[O-])cc[n+]1[O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL6659536 0.70 CHRNB2 (0.49) ALDH1A1MAPTCYP2D6KMT2AMEN1
SCHEMBL6752686 0.68 OPRM1 (0.42) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL12143873 0.68 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2OPRM1OPRD1
SCHEMBL6662488 0.68 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5821067 0.68 ALDH1A1 (0.41) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL30000702 0.67 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2TP53
SCHEMBL4339044 0.66 PTPRC (0.41) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL23409273 0.64 KMT2A (0.50) ALDH1A1MAPTCYP1A2CYP2C19KMT2A
SCHEMBL23111942 0.64 KMT2A (0.50) ALDH1A1MAPTCYP1A2CYP2C19KMT2A
SCHEMBL1836941 0.63 KMT2A (0.48) ALDH1A1HPGDKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed