SCHEMBL21160645

SCHEMBL21160645

CNCc1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.74

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
SCHEMBL21155625 0.88 PARP1 (0.70) PARP1
SCHEMBL29435084 0.85 PARP1 (1.00) PARP1
SCHEMBL12256417 0.85 PARP1 (1.00) PARP1
SCHEMBL21160074 0.79 PARP1 (0.48) PARP1
SCHEMBL14980870 0.76 PARP1 (1.00) PARP1
SCHEMBL14356190 0.70 MAP3K9 (0.52) PARP1
SCHEMBL14356200 0.70 MAP3K9 (0.52) PARP1
SCHEMBL14346098 0.69 PARP1 (0.57) PARP1
SCHEMBL12846284 0.69 PARP1 (0.64) PARP1
SCHEMBL12786101 0.68 PARP1 (0.56) 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
WO-2019136298-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES Cybrexa, Inc. (US) 2019-07-11 — — WO disclosed
Send feedback