SCHEMBL4699173

SCHEMBL4699173

CCCC(CCC)C(=O)Nc1ccc2c(Cc3ccc(Cl)cc3Cl)n[nH]c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PARP1 P09874 6/20 0.46
AR P10275 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
KMT2A Q03164 1/20 0.39
ENPP1 P22413 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
SCHEMBL4700129 0.88 LMNA (0.51) LMNAPARP1TAS1R3TAS1R1HDAC8
SCHEMBL4702603 0.85 LMNA (0.60) LMNAHTTNPSR1PARP1AR
SCHEMBL4698475 0.82 LMNA (0.58) LMNAHTTNPSR1PARP1AR
SCHEMBL4701092 0.82 LMNA (0.60) LMNAHTTNPSR1PARP1AR
SCHEMBL4700395 0.79 LMNA (0.53) LMNAHTTNPSR1PARP1AR
SCHEMBL4704345 0.79 PARP1 (0.58) PARP1
SCHEMBL4699704 0.78 HTT (0.53) LMNAHTTNPSR1PARP1KMT2A
SCHEMBL4697638 0.78 PARP1 (0.48) PARP1ENPP1
SCHEMBL4702676 0.78 PARP1 (0.48) PARP1TAS1R3TAS1R1HDAC8ENPP1
SCHEMBL4697402 0.78 PARP1 (0.57) 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
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