SCHEMBL6555541

SCHEMBL6555541

O=c1[nH]c2cc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.63
KCNH2 Q12809 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
TNK1 Q13470 4/20 0.53
TNK2 Q07912 3/20 0.53
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
STAT3 P40763 1/20 0.49
STAT1 P42224 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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 SCHEMBL6408233 0.99 PARP1 (0.62) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL6554247 0.87 PARP1 (0.74) PARP1KCNH2PARP2TNK1TNK2
Hydrochloric Acid SCHEMBL6403910 0.86 PARP1 (0.72) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL6404621 0.85 PARP1 (0.68) PARP1KCNH2PARP2TNK1TNK2
Hydrochloric Acid SCHEMBL6554788 0.84 PARP1 (0.67) PARP1KCNH2PARP2TNK1TNK2
SCHEMBL28954764 0.79 GUSB (0.55) PARP2POLBALDH1A1SMN1; SMN2LMNA
SCHEMBL31061696 0.78 PARP1 (1.00) PARP1KCNH2PARP2ALDH1A1KDM4E
SCHEMBL6406734 0.78 PARP1 (0.77) PARP1KCNH2PARP2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6406540 0.77 PARP1 (0.97) PARP1KCNH2PARP2ALDH1A1KDM4E
SCHEMBL28954788 0.77 GUSB (0.66) PARP2POLBALDH1A1SMN1; SMN2LMNA

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