SCHEMBL30875671

SCHEMBL30875671

CCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.82
PARP2 Q9UGN5 11/20 0.67
PARP3 Q9Y6F1 11/20 0.67

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
SCHEMBL2263180 1.00 PARP1 (0.82) PARP1PARP2PARP3
SCHEMBL2265938 0.90 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL30875674 0.90 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL30875632 0.83 PARP1 (0.73) PARP1PARP2PARP3
SCHEMBL2264532 0.83 PARP1 (0.73) PARP1PARP2PARP3
SCHEMBL30875666 0.83 PARP1 (0.73) PARP1PARP2PARP3
SCHEMBL2268369 0.83 PARP1 (0.73) PARP1PARP2PARP3
SCHEMBL27738247 0.83 PARP1 (0.70) PARP1PARP2PARP3
SCHEMBL30875639 0.82 PARP1 (0.72) PARP1PARP2PARP3
SCHEMBL2262484 0.82 PARP1 (0.72) 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
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed