SCHEMBL4700129

SCHEMBL4700129

CCCC(CCC)C(=O)Nc1ccc2c(Cc3ccc(Cl)cc3)n[nH]c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
PARP1 P09874 13/20 0.50
ENPP1 P22413 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL4697638 0.88 PARP1 (0.48) PARP1ENPP1HDAC1
SCHEMBL4702676 0.88 PARP1 (0.48) PARP1ENPP1TAS1R3TAS1R1HDAC3
SCHEMBL4699173 0.88 LMNA (0.55) LMNAPARP1ENPP1TAS1R3TAS1R1
SCHEMBL4701253 0.85 PARP1 (0.64) LMNAPARP1ENPP1
SCHEMBL4704345 0.85 PARP1 (0.58) PARP1
SCHEMBL4697402 0.84 PARP1 (0.57) PARP1
SCHEMBL4700486 0.81 PARP1 (0.49) PARP1ENPP1
SCHEMBL4702672 0.81 LMNA (0.54) LMNAPARP1ENPP1
SCHEMBL4699679 0.80 LMNA (0.55) LMNAPARP1ENPP1
SCHEMBL4698543 0.78 PARP1 (0.52) LMNAPARP1ENPP1

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