SCHEMBL4555492

SCHEMBL4555492

C[C@H](c1cccc(-c2cccc(C(=O)NCCN(C)C)c2)c1)c1n[nH]c(=O)c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 1.00

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
SCHEMBL4555493 1.00 PARP1 (1.00) PARP1
SCHEMBL5094005 0.86 PARP1 (1.00) PARP1
SCHEMBL4555782 0.81 PARP1 (1.00) PARP1
SCHEMBL4438181 0.77 PARP1 (1.00) PARP1
SCHEMBL4555938 0.76 PARP1 (1.00) PARP1
SCHEMBL27317323 0.76 PARP1 (0.59) PARP1
SCHEMBL5090379 0.74 PARP1 (1.00) PARP1
SCHEMBL5090488 0.71 PARP1 (0.69) PARP1
SCHEMBL4445140 0.71 PARP1 (1.00) PARP1
SCHEMBL26378205 0.71 HPGD (0.59) 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-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 — — EP disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 — — WO disclosed
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