SCHEMBL19998330

SCHEMBL19998330

CN1CCN(C(=O)c2cccc(Oc3n[nH]c(=O)c4ccccc34)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 19/20 0.66
▸ PARP2 Q9UGN5 1/20 0.66
▸ PARP3 Q9Y6F1 1/20 0.66
▸ MGLL Q99685 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
SCHEMBL15002430 0.93 PARP1 (0.69) PARP1PARP2PARP3MGLL
SCHEMBL15002410 0.92 PARP1 (0.66) PARP1PARP2PARP3MGLL
SCHEMBL15002563 0.90 PARP1 (0.69) PARP1PARP2PARP3MGLL
SCHEMBL15002406 0.89 PARP1 (0.72) PARP1PARP2PARP3MGLL
SCHEMBL15002561 0.88 PARP1 (0.64) PARP1PARP2PARP3MGLL
SCHEMBL16215126 0.87 PARP1 (0.66) PARP1PARP2PARP3MGLL
SCHEMBL15002407 0.85 PARP1 (0.72) PARP1PARP2PARP3MGLL
SCHEMBL15002408 0.84 PARP1 (0.73) PARP1PARP2PARP3MGLL
SCHEMBL15001747 0.83 PARP1 (0.81) PARP1
SCHEMBL17356392 0.81 PARP1 (0.52) PARP1PARP2PARP3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 — — EP disclosed
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