SCHEMBL4700486

SCHEMBL4700486

CCCC(CCC)C(=O)Nc1ccc2c(Cc3cnc4ccccc4c3)n[nH]c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.49
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ENPP1 P22413 1/20 0.39

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
SCHEMBL4697643 0.87 PARP1 (0.62) PARP1PRMT5WDR77FAAH
SCHEMBL4701664 0.83 NPC1 (0.55) PARP1PRMT5WDR77FAAH
SCHEMBL4704345 0.81 PARP1 (0.58) PARP1
SCHEMBL4700129 0.81 LMNA (0.51) PARP1ENPP1
SCHEMBL4700393 0.81 PARP1 (0.44) PARP1PRMT5WDR77FAAH
SCHEMBL4701170 0.81 PARP1 (0.51) PARP1PRMT5WDR77FAAH
SCHEMBL4697402 0.80 PARP1 (0.57) PARP1
SCHEMBL4703001 0.80 FAAH (0.51) PARP1PRMT5WDR77FAAH
SCHEMBL4701162 0.80 FAAH (0.52) PARP1PRMT5WDR77FAAHENPP1
SCHEMBL4698403 0.80 FAAH (0.55) PARP1FAAH

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
EP-1427708-B1 AMINO-PHTHALAZINONE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2008-09-10 EP claimed