SCHEMBL14980885

SCHEMBL14980885

O=C1NC(=O)c2c1c1c(c3[nH]c4c(c23)=CC(OC(=O)N2CCCCC2)CC=4)CCC1

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.43

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
SCHEMBL12846284 0.68 PARP1 (0.64) PARP1
SCHEMBL12846160 0.60 PARP1 (0.65) PARP1
SCHEMBL2087627 0.56 PARP1 (0.51) PARP1
SCHEMBL14980870 0.56 PARP1 (1.00) PARP1
SCHEMBL12846165 0.56 PARP1 (0.66) PARP1
SCHEMBL12846279 0.56 PARP1 (0.57) PARP1
SCHEMBL14346205 0.55 PARP1 (0.53) PARP1
SCHEMBL3361947 0.54 PARP1 (0.62) PARP1
SCHEMBL14346099 0.54 PARP1 (0.66) PARP1
SCHEMBL12845917 0.54 PARP1 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 — — EP disclosed
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