SCHEMBL889789

SCHEMBL889789

CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(CNC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
THRB P10828 3/20 0.44
MAPK1 P28482 3/20 0.44
HIF1A Q16665 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX12 P18054 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
F2 P00734 1/20 0.44
GBA1 P04062 1/20 0.44
APP P05067 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL15705868 0.81 TDP1 (0.55) TDP1THRBMAPK1HIF1AMEN1
SCHEMBL12671027 0.81 TDP1 (0.69) TDP1THRBMAPK1HIF1AMEN1
SCHEMBL13532450 0.80 TDP1 (0.71) TDP1THRBMAPK1HIF1AMEN1
Bromide SCHEMBL25280 0.79 TDP1 (0.70) TDP1THRBMAPK1HIF1AMEN1
Zinc Chloride SCHEMBL29577877 0.76 TDP1 (0.65) TDP1THRBMAPK1HIF1AMEN1
Zinc Chloride SCHEMBL29837408 0.75 TDP1 (0.64) TDP1THRBMAPK1HIF1AMEN1
SCHEMBL16983238 0.67 TDP1 (0.69) TDP1THRBMAPK1HIF1AMEN1
SCHEMBL12331223 0.66 HTT (0.48) TDP1THRBMAPK1HIF1AMEN1
Hydrochloric Acid SCHEMBL25301058 0.66 TDP1 (0.80) TDP1THRBMAPK1HIF1AMEN1
Zinc Ion SCHEMBL29366028 0.66 TDP1 (0.75) TDP1THRBMAPK1HIF1AMEN1

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
US-8465921-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2013-06-18 US disclosed
US-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed