SCHEMBL6554258

SCHEMBL6554258

O=c1[nH]c2cc(CN3CCC(c4ccc(F)cc4)CC3)ccc2c2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.56
TNK1 Q13470 9/20 0.56
TNK2 Q07912 8/20 0.56
KCNH2 Q12809 1/20 0.52
PARP2 Q9UGN5 1/20 0.52

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
Hydrochloric Acid SCHEMBL6405042 0.99 PARP1 (0.55) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL6556204 0.90 PARP1 (0.53) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL6554199 0.89 PARP1 (0.58) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6409229 0.89 PARP1 (0.55) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6404385 0.88 PARP1 (0.57) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6405517 0.88 PARP1 (0.57) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6404946 0.86 PARP1 (0.57) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL6555953 0.84 PARP1 (0.62) PARP1TNK1TNK2KCNH2PARP2
Hydrochloric Acid SCHEMBL6408406 0.83 PARP1 (0.61) PARP1TNK1TNK2KCNH2PARP2
SCHEMBL6409054 0.82 PARP1 (0.58) PARP1TNK1TNK2KCNH2PARP2

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