SCHEMBL7994815

SCHEMBL7994815

CCCc1nccn1Cc1cccc(C(CCO)Sc2ccc3ncc([N+](=O)[O-])n3n2)c1C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL7994819 0.92
SCHEMBL7994645 0.78 HSP90AA1 (0.34)
SCHEMBL7996545 0.69 CYP2D6 (0.36)
SCHEMBL7984159 0.67 EGFR (0.31)
SCHEMBL9229348 0.65 LMNA (0.38)
SCHEMBL9058562 0.63 ALDH1A1 (0.46)
Hydrochloric Acid SCHEMBL9234867 0.62 MEN1 (0.55) TDP1
SCHEMBL9058693 0.61 MAPK1 (0.43)
SCHEMBL7998616 0.60 SMN1; SMN2 (0.39)
SCHEMBL9058875 0.60 KDM4E (0.54)

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed