SCHEMBL6556334

SCHEMBL6556334

O=c1[nH]c2ccc(OCCC3CC(c4ccccc4)=CCN3)cc2c2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 18/20 0.45
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL6406361 0.75 PARP1 (0.59) PARP1
SCHEMBL6404979 0.75 PARP1 (0.56) PARP1
SCHEMBL10864748 0.73 CA12 (0.50)
SCHEMBL10747284 0.71 HTR1D (0.55)
SCHEMBL6555513 0.71 PARP1 (0.59) PARP1
Hydrochloric Acid SCHEMBL10864233 0.70 RAB9A (0.55)
Hydrochloric Acid SCHEMBL6554106 0.70 PARP1 (0.40) PARP1
SCHEMBL10855265 0.70 HTR1D (0.51) MAPKAPK2
SCHEMBL10744227 0.69 KMT2A (0.45) PARP1
SCHEMBL6648890 0.68 PARP1 (0.56) PARP1

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-1487800-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 EP disclosed
WO-2003080581-A1 PHENANTHRIDINONES AS PARP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 WO disclosed