SCHEMBL1665203

SCHEMBL1665203

Cc1ccc(I)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(I)ccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL888140 0.91 CYP1A2 (0.40) ALDH1A1TSHRCYP3A4POLBTDP1
SCHEMBL1185484 0.85 TSHR (0.60) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL12090352 0.77 TSHR (0.60) ALDH1A1TSHRCYP3A4HSD17B10KDM4E
SCHEMBL2064927 0.76 FBP1 (0.46) TSHRCYP3A4TDP1MAPTMAPK1
SCHEMBL1665662 0.74 ALOX15 (0.43) ALDH1A1TSHRCYP3A4HTTCES2
SCHEMBL888064 0.74 CYP1A2 (0.44) ALDH1A1TSHRTDP1SMN1; SMN2MAPK1
SCHEMBL14676339 0.74 CYP1A2 (0.40) ALDH1A1TSHRCYP3A4RECQLHSD17B10
SCHEMBL1620602 0.74 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL23257600 0.73 MAPT (0.46) ALDH1A1TSHRCYP3A4RECQLHTT
SCHEMBL31039440 0.73 MAPT (0.46) ALDH1A1TSHRCYP3A4RECQLHTT

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-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 EP disclosed
WO-2009152353-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2009-12-17 WO disclosed