SCHEMBL31621079

SCHEMBL31621079

O=C(O)c1cc(Cc2n[nH]c(=O)c3ccc(F)cc23)ccc1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.65
HDAC1 Q13547 1/20 0.54

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
SCHEMBL31621083 1.00 PARP1 (0.65) PARP1HDAC1
SCHEMBL31621076 0.96 PARP1 (0.64) PARP1HDAC1
SCHEMBL29403857 0.89 PARP1 (0.70) PARP1
SCHEMBL78452 0.89 PARP1 (0.70) PARP1
SCHEMBL19367085 0.89 PARP1 (0.70) PARP1
SCHEMBL29466162 0.89 PARP1 (0.70) PARP1
SCHEMBL87062 0.88 PARP1 (0.62) PARP1
SCHEMBL31621080 0.88 PARP1 (0.62) PARP1
Water SCHEMBL28136735 0.87 PARP1 (0.68) PARP1
SCHEMBL26124015 0.86 PARP1 (0.60) 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
CN-120157657-A Phthalazinone compound containing piperazinone, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2025-06-17 CN disclosed