SCHEMBL28525147

SCHEMBL28525147

CCCn1ccc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.59
GRM2 Q14416 10/20 0.54
KDM4E B2RXH2 4/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 1/20 0.49
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR2 P34972 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
SCHEMBL29809435 1.00 TNF (0.59) TNFGRM2KDM4EHTTACHE
SCHEMBL29809443 0.90 TNF (0.64) TNFGRM2KDM4EHTTACHE
SCHEMBL4552574 0.88 TNF (0.63) TNFKDM4EHTTACHEPSMB1
SCHEMBL28525351 0.87 TNF (0.61) TNFKDM4EHTTACHETDP1
SCHEMBL29809320 0.85 TNF (0.55) TNFKDM4EACHEPSMB1PSMB5
SCHEMBL179072 0.85 TNF (0.55) TNFKDM4EACHEPSMB1PSMB5
SCHEMBL1238170 0.82 TNF (0.52) TNFKDM4EHTTACHEPSMB1
SCHEMBL13046538 0.82 TNF (0.56) TNFKDM4EHTTACHEPSMB1
SCHEMBL9690276 0.81 TNF (0.52) TNFKDM4EHTTACHEPSMB1
SCHEMBL28189599 0.79 HSP90AB1 (0.59) TNFGRM2KDM4EACHEPSMB1

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-110981799-B Method for synthesizing quinolinone compound or isomers thereof 天津理工大学 2021-02-19 CN claimed