SCHEMBL29072201

SCHEMBL29072201

O=Cc1cn(S(=O)(=O)c2ccccc2F)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
UBE2N P61088 1/20 0.60
HTR6 P50406 7/20 0.53
HTR1A P08908 1/20 0.51
DRD3 P35462 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
IMPDH2 P12268 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KLK7 P49862 1/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
FABP4 P15090 2/20 0.43

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
SCHEMBL947498 0.83 KDM4E (0.60) KDM4EUBE2NHTR6ALDH1A1IMPDH2
SCHEMBL1418894 0.83 KDM4E (0.68) KDM4EUBE2NHTR6ALDH1A1IMPDH2
SCHEMBL30558132 0.83 KDM4E (0.60) KDM4EUBE2NHTR6DRD3ALDH1A1
SCHEMBL14734960 0.83 KDM4E (0.60) KDM4EUBE2NHTR6DRD3ALDH1A1
SCHEMBL30558112 0.83 KDM4E (0.68) KDM4EUBE2NHTR6ALDH1A1IMPDH2
SCHEMBL30542061 0.80 KDM4E (0.77) KDM4EUBE2NHTR6ALDH1A1HTT
SCHEMBL946340 0.80 KDM4E (0.77) KDM4EUBE2NHTR6ALDH1A1HTT
SCHEMBL14734918 0.80 KDM4E (0.56) KDM4EUBE2NHTR6DRD3ALDH1A1
SCHEMBL723339 0.79 KDM4E (0.81) KDM4EUBE2NHTR6HTR1ADRD3
SCHEMBL29576861 0.79 KDM4E (0.81) KDM4EUBE2NHTR6HTR1ADRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693503-A Quinolinone derivative containing sulfonyl substituted indolyl acylhydrazone structure on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-09-05 CN claimed
CN-116693503-A Quinolinone derivative containing sulfonyl substituted indolyl acylhydrazone structure on 1-position nitrogen atom, and preparation method and application thereof 太原理工大学 2023-09-05 CN disclosed