SCHEMBL6554641

SCHEMBL6554641

O=c1[nH]c2cc(CBr)ccc2c2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.53
KCNH2 Q12809 1/20 0.47
PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL6405353 0.88 PARP1 (0.51) PARP1KCNH2PARP2
SCHEMBL6406158 0.87 PARP1 (0.50) PARP1KCNH2PARP2
SCHEMBL25093574 0.83 PARP1 (0.52) PARP1KCNH2PARP2
SCHEMBL30414013 0.83 PARP1 (0.52) PARP1KCNH2PARP2
SCHEMBL25093566 0.83 PARP1 (0.51) PARP1KCNH2PARP2
SCHEMBL6407884 0.81 HSD17B10 (0.51) PARP1KCNH2PARP2
SCHEMBL25153943 0.78 KDM4E (0.48) PARP1KCNH2PARP2
SCHEMBL6408399 0.78 PARP1 (0.57) PARP1KCNH2PARP2
SCHEMBL6069754 0.78 MAPT (0.51) PARP1KCNH2PARP2
SCHEMBL6409054 0.76 PARP1 (0.58) PARP1KCNH2PARP2

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