SCHEMBL31014306

SCHEMBL31014306

N#Cc1ccc(-c2[nH]c(=O)c3ccccc3c2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.46
FASN P49327 1/20 0.44
PDE9A O76083 3/20 0.43
PDE1C Q14123 1/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
IDO1 P14902 1/20 0.42
TNKS O95271 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MDM2 Q00987 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TDO2 P48775 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
SCHEMBL30472347 0.84 FASN (0.56) SERPINE1FASNPDE9AESR1ESR2
SCHEMBL29031851 0.84 FASN (0.56) SERPINE1FASNPDE9AESR1ESR2
SCHEMBL31047693 0.83 SERPINE1 (0.45) SERPINE1FASNPDE9APARP1PARP2
SCHEMBL29639174 0.81 SERPINE1 (0.67) SERPINE1PDE9AESR1ESR2PARP1
SCHEMBL29031883 0.81 SERPINE1 (0.67) SERPINE1PDE9AESR1ESR2PARP1
SCHEMBL29639169 0.79 PTGS2 (0.56) SERPINE1PDE9APDE1CESR1ESR2
SCHEMBL31014307 0.79 SERPINE1 (0.71) SERPINE1ESR1ESR2PARP1PARP2
SCHEMBL29031838 0.79 PTGS2 (0.55) SERPINE1ESR1ESR2PARP1PARP2
SCHEMBL30472337 0.79 PTGS2 (0.55) SERPINE1ESR1ESR2PARP1PARP2
SCHEMBL29031852 0.79 PTGS2 (0.56) SERPINE1PDE9APDE1CESR1ESR2

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-118496166-A Preparation method of phthalazinone compound 五邑大学 2024-08-16 CN disclosed