SCHEMBL3395115

SCHEMBL3395115

O=C=Nc1cccc([N+](=O)[O-])c1I

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S100A4 P26447 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL30135431 0.82 PLAU (0.59) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL187375 0.82 PLAU (0.59) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL327019 0.81 PLAU (0.46) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL28049512 0.81 TSHR (0.50) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL10974014 0.79 PLAU (0.45) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL27466789 0.79 PLAU (0.45) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL3837781 0.79 CYP3A4 (0.63) PLAUCYP3A4TDP1GPR35ALDH1A1
SCHEMBL11493178 0.78 PLAU (0.33) PLAUCYP3A4TDP1ALDH1A1TSHR
SCHEMBL1665937 0.77 TDP1 (0.61) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10896862 0.76 CYP3A4 (0.52) PLAUCYP3A4TDP1GPR35ALDH1A1

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-2244574-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF- SYNTHESIS AND AS PDE4 INHIBITORS High Point Pharmaceuticals, LLC (US) 2010-11-03 EP disclosed
WO-2009094528-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-α SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2009-07-30 WO disclosed