SCHEMBL1665635

SCHEMBL1665635

[CH2]C(C)(C)Cc1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
PDK1 Q15118 1/20 0.36
SNCA P37840 2/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 4/20 0.34
CYP3A4 P08684 3/20 0.34
ALOX15 P16050 2/20 0.34
GPR35 Q9HC97 1/20 0.34
RECQL P46063 1/20 0.34
ALOX12 P18054 1/20 0.34
P2RY6 Q15077 1/20 0.33
TDP1 Q9NUW8 4/20 0.33
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1666375 0.89 CYP1A2 (0.37) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL1665240 0.83 PDK1 (0.40) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL27485132 0.78 PARP1 (0.37) CYP1A2PDK1SNCAALDH1A1CYP3A4
SCHEMBL1665662 0.76 ALOX15 (0.43) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL888064 0.76 CYP1A2 (0.44) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL888140 0.76 CYP1A2 (0.40) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL14676339 0.76 CYP1A2 (0.40) CYP1A2PDK1SNCAALDH1A1TSHR
SCHEMBL1667872 0.76 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MEN1RAB9A
SCHEMBL2064927 0.75 FBP1 (0.46) CYP1A2PDK1SNCATSHRCYP3A4
SCHEMBL4428319 0.75 CYP1A2 (0.39) CYP1A2PDK1SNCAALDH1A1TSHR

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