SCHEMBL31014307

SCHEMBL31014307

O=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.71
PTGS2 P35354 6/20 0.55
TNKS O95271 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
PARP2 Q9UGN5 2/20 0.50
GUSB P08236 1/20 0.50
PARP1 P09874 2/20 0.48
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE10A Q9Y233 1/20 0.44

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
SCHEMBL29031883 0.85 SERPINE1 (0.67) SERPINE1PTGS2TNKSTNKS2PARP1
SCHEMBL29639174 0.85 SERPINE1 (0.67) SERPINE1PTGS2TNKSTNKS2PARP1
SCHEMBL29031852 0.83 PTGS2 (0.56) SERPINE1PTGS2TNKSTNKS2PARP1
SCHEMBL29031838 0.83 PTGS2 (0.55) SERPINE1PTGS2TNKSTNKS2PARP2
SCHEMBL29031884 0.83 SERPINE1 (0.71) SERPINE1PTGS2TNKSTNKS2PARP2
SCHEMBL30472337 0.83 PTGS2 (0.55) SERPINE1PTGS2TNKSTNKS2PARP2
SCHEMBL29639170 0.83 SERPINE1 (0.71) SERPINE1PTGS2TNKSTNKS2PARP2
SCHEMBL29639169 0.83 PTGS2 (0.56) SERPINE1PTGS2TNKSTNKS2PARP1
SCHEMBL29031861 0.82 CSF1R (0.54) SERPINE1PTGS2PARP1ESR1ESR2
SCHEMBL31047696 0.81 SERPINE1 (0.69) SERPINE1PTGS2TNKSTNKS2PARP2

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