SCHEMBL30331782

SCHEMBL30331782

O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.84
PARP3 Q9Y6F1 1/20 0.84

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
SCHEMBL19914129 1.00 PARP1 (0.84) PARP1PARP3
SCHEMBL30293115 0.97 PARP1 (0.89) PARP1PARP3
SCHEMBL19569971 0.95 PARP1 (0.90) PARP1PARP3
SCHEMBL30331719 0.93 PARP1 (0.80) PARP1PARP3
SCHEMBL30436447 0.92 PARP1 (0.82) PARP1PARP3
SCHEMBL16571973 0.92 PARP1 (0.82) PARP1PARP3
SCHEMBL29434944 0.91 PARP1 (1.00) PARP1PARP3
SCHEMBL864319 0.91 PARP1 (1.00) PARP1PARP3
SCHEMBL30205023 0.91 PARP1 (1.00) PARP1PARP3
SCHEMBL524782 0.91 PARP1 (1.00) PARP1PARP3

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-2023061368-A1 HYDROXIMIC ACID DERIVATIVE AND USE THEREOF 成都自豪药业有限公司 2023-04-20 WO disclosed