SCHEMBL7122584

SCHEMBL7122584

Nc1c([N+](=O)[O-])ccc(F)c1F.O=[N+]([O-])c1ccc(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 6/20 0.43
HIF1A Q16665 2/20 0.43
VCAM1 P19320 1/20 0.41
TSHR P16473 5/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
THRB P10828 1/20 0.36
CYP3A4 P08684 4/20 0.36
MAPK1 P28482 3/20 0.36
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL938956 0.94 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL57498 0.88 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29361654 0.88 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29705523 0.82 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL288026 0.82 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7121790 0.80 TSHR (0.45) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL18311461 0.79 TDP1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL19329434 0.79 ALDH1A1 (0.48) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL15347823 0.77 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL4063467 0.76 ALDH1A1 (0.50) TDP1ATMALDH1A1HIF1ATSHR

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
EP-0970100-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-12 EP disclosed