SCHEMBL29565697

SCHEMBL29565697

CC1(N=[N+]=[N-])C(=O)N(c2cc(Cc3n[nH]c(=O)c4cc(F)ccc34)ccc2F)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.54
HDAC1 Q13547 1/20 0.38

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
SCHEMBL29565263 0.86 PARP1 (0.40) PARP1
SCHEMBL24390018 0.85 PARP1 (0.61) PARP1HDAC1
SCHEMBL29565661 0.85 PARP1 (0.61) PARP1HDAC1
SCHEMBL25312906 0.85 PARP1 (0.59) PARP1
SCHEMBL29565975 0.85 PARP1 (0.59) PARP1
SCHEMBL30132749 0.79 PARP1 (0.70) PARP1
SCHEMBL25890319 0.79 PARP1 (0.70) PARP1
SCHEMBL29565753 0.79 PARP1 (0.45) PARP1
SCHEMBL24390012 0.78 PARP1 (0.70) PARP1
SCHEMBL29565339 0.78 PARP1 (0.70) 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-2022090938-A1 PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-05-05 WO disclosed