SCHEMBL4720328

SCHEMBL4720328

O=c1c(Br)c2c(cn1-c1cc([N+](=O)[O-])ccc1C(F)(F)F)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
MAPK1 P28482 1/20 0.32
WDR5 P61964 1/20 0.32
AR P10275 6/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE7A Q13946 1/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.31
BCHE P06276 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
SCHEMBL4766122 0.85 POLB (0.37) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL4719504 0.73 MEN1 (0.34) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL6140578 0.66 POLB (0.64) POLBAPEX1CASP6CTDSP1TDP1
SCHEMBL10127582 0.66 SIRT6 (0.56) POLBALDH1A1KMT2ASLC6A9WDR5
SCHEMBL30619342 0.65 PDE7A (0.47) POLBTDP1ALDH1A1CYP3A4PDE7A
SCHEMBL15123102 0.65 PDE7A (0.47) POLBTDP1ALDH1A1CYP3A4PDE7A
SCHEMBL14101964 0.65
SCHEMBL31284605 0.64 ABCC8 (0.41) POLBCASP6ALDH1A1KMT2ASLC6A9
SCHEMBL30619305 0.63 SLC6A9 (0.61) ALDH1A1SLC6A9CYP1A2CYP2C9LMNA
SCHEMBL28401990 0.63 SLC6A9 (0.61) ALDH1A1SLC6A9CYP1A2CYP2C9LMNA

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed