SCHEMBL4428319

SCHEMBL4428319

NCCc1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
SNCA P37840 3/20 0.38
HTR6 P50406 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
PDK1 Q15118 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL14676339 0.87 CYP1A2 (0.40) CYP1A2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL29836036 0.82 CYP1A2 (0.42) CYP1A2TDP1ALDH1A1TSHRALOX15
SCHEMBL1665327 0.82 CYP1A2 (0.42) CYP1A2TDP1ALDH1A1TSHRALOX15
SCHEMBL11597123 0.80 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL3844656 0.80 CYP1A2 (0.60) CYP1A2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL888140 0.80 CYP1A2 (0.40) CYP1A2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL888064 0.80 CYP1A2 (0.44) CYP1A2TDP1ALDH1A1TSHRALOX15
SCHEMBL27770958 0.79 CYP1A2 (0.41) CYP1A2TDP1ALDH1A1TSHRALOX15
SCHEMBL2019611 0.79 S100A4 (0.44) CYP1A2TDP1ALDH1A1TSHRCYP3A4
SCHEMBL16969066 0.79 SNCA (0.46) CYP1A2TDP1ALDH1A1TSHRCYP3A4

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-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP disclosed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO disclosed