SCHEMBL3391500

SCHEMBL3391500

O=C(OCl)C(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 2/20 0.36
SRC P12931 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL383287 0.84 GSR (0.42) GSRKMT2ACYP2D6SRCNPSR1
SCHEMBL2761650 0.82 KMT2A (0.56) GSRKMT2ALMNAALDH1A1PTGS1
SCHEMBL10404713 0.81 ATM (0.50) GSRKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL359219 0.79 KMT2A (0.44) GSRKMT2ACYP2D6SRCNPSR1
SCHEMBL5682414 0.79 GSR (0.41) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL10679108 0.79 MMP8 (0.50) GSRKMT2ACYP1A2SMN1; SMN2
SCHEMBL74691 0.79 SRC (0.48) GSRCYP2D6SRCCYP1A2LMNA
SCHEMBL3980588 0.78 CES2 (0.41) GSRCYP2D6SRCLMNAMAPK1
SCHEMBL11602507 0.77 SRC (0.46) GSRCYP2D6SRCCYP1A2LMNA
SCHEMBL5692151 0.77 GSR (0.42) GSRCYP2D6SRCLMNAMAPK1

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
WO-2010039861-A2 DENDRIMER CONJUGATES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-04-08 WO disclosed